SCHEMBL8790086

SCHEMBL8790086

COc1ccc(CN(C)CCCCc2ccc(N)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BLM P54132 2/20 0.52
PMP22 Q01453 1/20 0.52
CYP2C9 P11712 1/20 0.52
AOC3 Q16853 1/20 0.51
ALDH1A1 P00352 3/20 0.51
ATM Q13315 1/20 0.49
OPRK1 P41145 1/20 0.47
SMPD1 P17405 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRM1 P35372 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL8789406 0.99 CYP19A1 (0.60) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8789870 0.96 CYP19A1 (0.63) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8789804 0.90 CYP19A1 (0.67) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8790151 0.89 CYP3A4 (0.70) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8790525 0.88 CYP1A2 (0.56) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8790306 0.87 CYP19A1 (0.61) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8789413 0.85 CYP3A4 (0.72) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL3153112 0.85 KDM4E (0.72) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8790500 0.84 CYP19A1 (0.51) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL3147612 0.84 CYP19A1 (0.65) CYP19A1CYP1A2CYP3A4CYP2D6KDM4E

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-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed