SCHEMBL8790338

SCHEMBL8790338

COc1ccc(CCN(C)C(=O)CCCc2ccc(N)cc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
CYP19A1 P11511 1/20 0.58
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AOC3 Q16853 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 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
SCHEMBL8789349 0.93 CDK8 (0.72) CDK8CLK4CYP19A1RAB9ANPC1
SCHEMBL8789814 0.89 CYP19A1 (0.56) CDK8CLK4CYP19A1L3MBTL1AOC3
SCHEMBL8790404 0.86 CDK8 (0.60) CDK8CLK4CYP19A1RAB9ANPC1
SCHEMBL8790877 0.86 CYP19A1 (0.55) CDK8CLK4CYP19A1L3MBTL1PLAAT3
SCHEMBL8790474 0.85 ALOX5 (0.66) AOC3ALDH1A1HTTLTB4RLTB4R2
SCHEMBL8789844 0.84 CDK8 (0.58) CDK8CLK4RAB9ANPC1L3MBTL1
SCHEMBL7273901 0.83 CDK8 (0.63) CDK8CLK4RAB9ANPC1L3MBTL1
SCHEMBL8789786 0.82 CDK8 (0.56) CDK8CLK4CYP19A1RAB9AAOC3
SCHEMBL7809238 0.82 CDK8 (0.64) CDK8CLK4RAB9ANPC1L3MBTL1
SCHEMBL3999705 0.81 CDK8 (0.74) CDK8CLK4RAB9ANPC1L3MBTL1

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