SCHEMBL4632724

SCHEMBL4632724

CCOc1ccc(C#Cc2cccc(C(=O)NC)c2)cc1C(=O)N[C@](C)(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NMBR P28336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 5/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL4632718 0.83 ALOX5 (0.43) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL4632723 0.79 ALOX5 (0.41) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL4632727 0.79 ALOX5 (0.41) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL4028879 0.78 ALOX5 (0.47) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL4034817 0.78 ALOX5 (0.46) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL5149351 0.77 ANO1 (0.41) MEN1KMT2AKDM4EMAPK1CYP2D6
SCHEMBL4038448 0.77 KMT2A (0.42) MEN1KMT2ANMBRKDM4EMAPT
SCHEMBL4633386 0.76 HDAC3 (0.44) MEN1KMT2AMAPT
SCHEMBL4039235 0.75 ALOX5 (0.44) GPR84ALOX5EPHX2MEN1KMT2A
SCHEMBL4034576 0.75 ALOX5 (0.52) ALOX5EPHX2MEN1KMT2ANMBR

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
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP disclosed