SCHEMBL8499142

SCHEMBL8499142

COc1ccc(OC)c2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.43
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
NQO1 P15559 1/20 0.42
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
HSD11B1 P28845 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CXCR2 P25025 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8501949 0.85 CA1 (0.53) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL1305414 0.84 MAPT (0.45) HTR1DHTR1AHTR1BNQO1HTR2C
SCHEMBL22444694 0.82 MAPK1 (0.47) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL6099019 0.82 ALDH1A1 (0.44) HTR1DHTR1AHTR1BNQO1HSD11B1
SCHEMBL30203278 0.82 ALDH1A1 (0.44) NQO1HSD11B1CA1CA2ALDH1A1
SCHEMBL6101788 0.82 ALDH1A1 (0.44) NQO1HSD11B1CA1CA2ALDH1A1
SCHEMBL8636736 0.80 IDO1 (0.46) NQO1ALDH1A1
SCHEMBL6938157 0.79 CA12 (0.55) CA1CA2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6935409 0.79 CA12 (0.55) CA1CA2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6360991 0.79 HSD11B1 (0.46) HTR1DHTR1AHTR1BHSD11B1CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed