SCHEMBL3978455

SCHEMBL3978455

COc1cc2c(c(Br)c1OC)CNC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
KDM4E B2RXH2 1/20 0.41
PIM1 P11309 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38

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
SCHEMBL27085892 0.78 PIM1 (0.41) NQO2KDM4EPIM1CSNK1A1CDK5
SCHEMBL3044760 0.75 NQO2 (0.50) NQO2KDM4EPLK4AURKAFLT4
SCHEMBL28936137 0.74 CDK5 (0.53) NQO2KDM4EPIM1CSNK1A1CDK5
SCHEMBL29920017 0.74 CDK5 (0.53) NQO2KDM4EPIM1CSNK1A1CDK5
SCHEMBL28651773 0.72 HTR2A (0.49) KDM4EPIM1CSNK1A1CDK5ROCK1
SCHEMBL30775216 0.72 ALDH1A1 (0.47) NQO2KDM4ECSNK1A1TUBB4ATUBB
SCHEMBL1335593 0.72 LRRK2 (0.50) NQO2KDM4EPIM1CSNK1A1CDK5
SCHEMBL3972529 0.72 MEN1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14844702 0.70 NCOA1 (0.41) NQO2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL10200127 0.69 CYP3A4 (0.49) NQO2KDM4EPIM1ROCK1CLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed