SCHEMBL6775707

SCHEMBL6775707

C=C(Br)C(=O)Nc1cc(C(=O)Nc2cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=NO)n(C)c4)n(C)c3)n2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
TOP1 P11387 2/20 0.42
HRAS P01112 13/20 0.42
ESR1 P03372 13/20 0.42
ESR2 Q92731 13/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
ERBB2 P04626 2/20 0.35
EP300 Q09472 1/20 0.33

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
SCHEMBL6776645 0.94 TOP1 (0.47) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6776711 0.94 HDAC1 (0.49) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6781807 0.94 HDAC1 (0.49) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6785640 0.93 HRAS (0.47) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6781701 0.93 HRAS (0.47) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6780417 0.92 TOP1 (0.47) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL6785507 0.91 HDAC1 (0.46) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL7499905 0.91 HRAS (0.53) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL7506382 0.91 HRAS (0.53) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL7510973 0.91 HRAS (0.53) HDAC1HDAC2HDAC8TOP1HRAS

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
US-6753316-B1 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 2004-06-22 US disclosed