SCHEMBL8790366

SCHEMBL8790366

COc1ccc(CN(C)CCOc2ccc(N)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CYP19A1 P11511 1/20 0.52
KDM4E B2RXH2 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
BLM P54132 2/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 3/20 0.47
AOC3 Q16853 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 2/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL8790500 0.94 CYP19A1 (0.51) TSHRCYP19A1KDM4ECYP1A2CYP3A4
SCHEMBL6575217 0.88 CYP1A2 (0.67) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9054039 0.87 BLM (0.68) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8790306 0.86 CYP19A1 (0.61) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8790388 0.85 KDM4E (0.47) TSHRKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8789857 0.85 TSHR (0.73) TSHRCYP3A4MEN1KMT2AALDH1A1
SCHEMBL8789804 0.83 CYP19A1 (0.67) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3147612 0.83 CYP19A1 (0.65) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8789951 0.82 CYP3A4 (0.65) TSHRCYP19A1KDM4ECYP1A2CYP3A4
SCHEMBL8789870 0.81 CYP19A1 (0.63) CYP19A1KDM4ECYP1A2CYP3A4CYP2D6

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 9 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-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