SCHEMBL107119

SCHEMBL107119

Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.56
PGK1 P00558 1/20 0.50
PGK2 P07205 1/20 0.50
CES2 O00748 1/20 0.46
MAPT P10636 1/20 0.45
NOTUM Q6P988 1/20 0.43
XPO1 O14980 1/20 0.42
IDO1 P14902 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
IKBKB O14920 1/20 0.39
KIF11 P52732 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
P2RX1 P51575 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
IDH1 O75874 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL130017 0.94 RAPGEF4 (0.50) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL26375464 0.89 NOTUM (0.50) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL12722384 0.89 RAPGEF4 (0.48) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL3439602 0.89 RAPGEF4 (0.48) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL26504576 0.87 RAPGEF4 (0.47) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL19245040 0.87 RAPGEF4 (0.47) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL26945216 0.87 RAPGEF4 (0.47) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL18191156 0.87 RAPGEF4 (0.47) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL19426782 0.87 RAPGEF4 (0.47) RAPGEF4PGK1PGK2CES2MAPT
SCHEMBL13949153 0.87 NOTUM (0.49) RAPGEF4PGK1PGK2CES2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2002 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887360-B1 MICROBIOCIDAL THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-01-18 EP claimed
US-20220017501-A1 MICROBIOCIDAL THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-01-20 US claimed
EP-3887360-A1 MICROBIOCIDAL THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-10-06 EP claimed
WO-2020109509-A1 MICROBIOCIDAL THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-06-04 WO claimed
US-20100311956-A1 SYNTHETIC AMPHIPHILES FOR MEMBRANE PROTEIN MANIPULATION WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-09 US claimed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2253617-A1 Halogenated compounds as pesticides Bayer CropScience AG (DE) 2010-11-24 EP claimed
EP-1344772-B1 ARYLBIS (PERFLUOROALKYLSULFONYL) METHANE, METAL SALT OF THE SAME, AND PROCESSES FOR PRODUCING THESE JAPAN SCIENCE & TECH AGENCY (JP) 2009-07-22 EP claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
US-6147089-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 US claimed
US-6147090-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 US claimed
US-6140342-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR; USED TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN OTHER PLASMA LIPID LEVELS, SUCH AS LDL-CHOLESTEROL AND TRIGLYCERIDES PFIZER INC. (US) 2000-10-31 US claimed
US-6140343-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS WHICH ARE USED TO ELEVATE HIGHDENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER LOW DENSITY LIPOPROTEIN-CHOLESTEROL AND TRIGLYCERIDES; FOR TREATING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, OBESITY PFIZER (US) 2000-10-31 US claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed
EP-0992496-A1 Annulated 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-04-12 EP claimed
WO-2000017165-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO claimed
WO-2000017166-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO claimed
WO-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO claimed
EP-0987251-A1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-03-22 EP claimed