SCHEMBL5310773

SCHEMBL5310773

O=C(O)c1cccc2nc(N(C(=O)c3ccccc3Cl)c3ccccc3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
CLK1 P49759 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 3/20 0.38
PBRM1 Q86U86 1/20 0.38
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL5310779 0.81 CLK1 (0.38) ALDH1A1CLK1CDK9CDK5DYRK1A
SCHEMBL937935 0.75 POLB (0.43) POLBALDH1A1TP53CLK1CDK9
SCHEMBL8075339 0.74 POLB (0.68) POLBALDH1A1TP53KMT2ATSHR
SCHEMBL6840297 0.72 KDM4E (0.56) POLBALDH1A1CLK1CDK9CDK5
SCHEMBL4235452 0.72 NPC1 (0.50) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL13177150 0.69 PBRM1 (0.47) ALDH1A1TP53CLK1CDK9CDK5
SCHEMBL937934 0.68 ALDH1A1 (0.40) POLBALDH1A1CLK1CDK9CDK5
SCHEMBL8952892 0.67 ALDH1A1 (0.47) ALDH1A1KDM4CPBRM1KDM5AKDM5B
SCHEMBL7863162 0.67 ALDH1A1 (0.47) ALDH1A1KDM4CPBRM1KDM5AKDM5B
SCHEMBL18758064 0.67 ALDH1A1 (0.47) POLBALDH1A1CLK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed