SCHEMBL8499741

SCHEMBL8499741

COc1cc2cccc(OS(=O)(=O)C(F)(F)F)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 7/20 0.40
EGFR P00533 1/20 0.39
RAD52 P43351 1/20 0.39
CA2 P00918 2/20 0.38
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR5A P47898 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
BCHE P06276 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
SCHEMBL17487158 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL6473030 0.83 DRD2 (0.37) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL124046 0.83 MTNR1A (0.47)
SCHEMBL1180547 0.83 MTNR1A (0.44) SMN1; SMN2BCHEACHE
SCHEMBL12476299 0.83 MEN1 (0.41) DRD2CA2DRD4DRD3HTR5A
SCHEMBL13198029 0.82 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL30405009 0.82 DRD2 (0.36) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL5368623 0.82 DRD2 (0.36) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL7214605 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL30203278 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10CA2

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