SCHEMBL5074375

SCHEMBL5074375

Oc1ccc(OCI)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.54
LTA4H P09960 5/20 0.52
LMNA P02545 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NR5A1 Q13285 1/20 0.48
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL17935744 0.81 KMT2A (0.47) LMNACYP1A2CYP2C19MEN1KMT2A
SCHEMBL19513829 0.80 LTA4H (0.55) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL8452874 0.78 LTA4H (0.56) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL226548 0.78 LTA4H (0.64) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL9690213 0.77 NR5A1 (0.62) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL4537440 0.76 LTA4H (0.54) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL2473527 0.76 LTA4H (0.68) APPLTA4HLMNAHIF1ACYP1A2
SCHEMBL2470706 0.76 NR5A1 (0.75) LTA4HLMNAHIF1ACYP1A2PTGS1
SCHEMBL7533336 0.76 APP (0.58) APPCA1CA2CA9
SCHEMBL9689109 0.75 NR5A1 (0.66) APPLTA4HSLC6A2SLC6A3NR5A1

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

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334408-A1 REACTIVE MESOGENS Merck Patent GmbH (DE) 2024-03-13 EP disclosed
EP-4334385-A1 FLAME RETARDANT-STABILIZER COMBINATION FOR THERMOPLASTIC POLYMERS Clariant International Ltd (CH) 2024-03-13 EP disclosed
EP-4176020-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2023-05-10 EP disclosed
WO-2022003079-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2022-01-06 WO disclosed
WO-2021219765-A1 POLYMERIZABLE LIQUID CRYSTAL MATERIAL AND POLYMERIZED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2021-11-04 WO disclosed
EP-2780409-A1 ORGANIC SEMICONDUCTOR DEVICE AND MANUFACTURING METHOD THEREOF BASF SE (DE) 2014-09-24 EP disclosed
WO-2013072853-A1 ORGANIC SEMICONDUCTOR DEVICE AND MANUFACTURING METHOD THEREOF BASF SE (DE) 2013-05-23 WO disclosed
EP-1926770-A1 COLOR FAST POLYURETHANES Ciba Holding Inc. (CH) 2008-06-04 EP disclosed
WO-2007039434-A1 COLOR FAST POLYURETHANES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 WO disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed