SCHEMBL8790306

SCHEMBL8790306

COc1ccc(CN(C)CCN(C)Cc2ccc(N)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
BLM P54132 2/20 0.55
PMP22 Q01453 1/20 0.55
CYP2C9 P11712 1/20 0.54
AOC3 Q16853 1/20 0.54
ATM Q13315 1/20 0.51
CA2 P00918 1/20 0.49
OPRK1 P41145 1/20 0.46

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
SCHEMBL3147612 0.94 CYP19A1 (0.65) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3153112 0.91 KDM4E (0.72) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8789804 0.91 CYP19A1 (0.67) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8789870 0.88 CYP19A1 (0.63) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8790086 0.87 CYP19A1 (0.61) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8790366 0.86 TSHR (0.53) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8789406 0.86 CYP19A1 (0.60) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8789539 0.85 CYP19A1 (0.51) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8790817 0.85 CYP19A1 (0.51) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8790500 0.85 CYP19A1 (0.51) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A2

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 3 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-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed