SCHEMBL8790071

SCHEMBL8790071

COc1ccc(CN(C)C/C=C/Cc2ccc(N)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
BLM P54132 2/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ATM Q13315 1/20 0.45
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CA2 P00918 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL8790080 1.00 CYP19A1 (0.54) CYP19A1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789969 0.87 BCHE (0.57) CYP19A1BCHEACHE
SCHEMBL8789973 0.87 BCHE (0.57) CYP19A1BCHEACHE
SCHEMBL3147612 0.84 CYP19A1 (0.65) CYP19A1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790306 0.81 CYP19A1 (0.61) CYP19A1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL8836082 0.81 ACHE (0.52) CYP19A1ALDH1A1SMN1; SMN2ACHEMEN1
SCHEMBL8836079 0.81 ACHE (0.52) CYP19A1ALDH1A1SMN1; SMN2ACHEMEN1
SCHEMBL8789804 0.79 CYP19A1 (0.67) CYP19A1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789870 0.77 CYP19A1 (0.63) CYP19A1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL3153112 0.76 KDM4E (0.72) CYP19A1CYP1A2CYP3A4CYP2D6BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed