SCHEMBL8790689

SCHEMBL8790689

COc1ccc(CN(C)CCc2cccc(N)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
BLM P54132 2/20 0.67
CYP2C9 P11712 1/20 0.67
PMP22 Q01453 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 3/20 0.60
AOC3 Q16853 1/20 0.57
CYP19A1 P11511 1/20 0.52
SMPD1 P17405 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL8790280 0.92 KDM4E (0.58) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789804 0.86 CYP19A1 (0.67) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL3153112 0.86 KDM4E (0.72) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789896 0.85 CYP1A2 (0.69) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8836555 0.85 CYP1A2 (0.69) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL10390463 0.85 KDM4E (0.80) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL514870 0.85 KMT2A (0.82) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL11128115 0.82 CYP19A1 (0.63) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790592 0.82 CYP3A4 (0.64) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8790306 0.80 CYP19A1 (0.61) KDM4ECYP1A2CYP3A4CYP2D6BLM

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