SCHEMBL8790404

SCHEMBL8790404

COc1ccc(CCN(C)C(=O)Cc2ccc(N)cc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
CYP19A1 P11511 1/20 0.58
AOC3 Q16853 1/20 0.56
LTB4R Q15722 3/20 0.55
LTB4R2 Q9NPC1 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 2/20 0.52
ATM Q13315 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL10879740 0.91 CDK8 (0.67) CDK8CLK4AOC3LTB4RLTB4R2
SCHEMBL8789349 0.89 CDK8 (0.72) CDK8CLK4CYP19A1AOC3CYP1A2
SCHEMBL8789637 0.87 UBE2N (0.54) CDK8CLK4CYP19A1AOC3ATM
SCHEMBL8790338 0.86 CDK8 (0.63) CDK8CLK4CYP19A1AOC3LTB4R
SCHEMBL8789786 0.85 CDK8 (0.56) CDK8CLK4CYP19A1AOC3LTB4R
SCHEMBL8790512 0.83 KCNH2 (0.57) CDK8CLK4LTB4RLTB4R2CYP1A2
SCHEMBL8790187 0.83 LTB4R (0.59) AOC3LTB4RLTB4R2ALDH1A1HTT
SCHEMBL31072720 0.81 TSHR (0.55) CDK8CLK4LTB4RLTB4R2CYP1A2
SCHEMBL2770457 0.79 CYP1A2 (0.81) CYP19A1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL14276933 0.79 CYP3A4 (0.66) CDK8CLK4AOC3CYP1A2CYP3A4

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