SCHEMBL6783647

SCHEMBL6783647

C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC#N)n(C)c4)n(C)c3)n(C)c2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 9/20 0.43
ESR1 P03372 9/20 0.43
ESR2 Q92731 9/20 0.43
TOP1 P11387 2/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
ERBB2 P04626 2/20 0.31
NAMPT P43490 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL6781964 1.00 HRAS (0.43) HRASESR1ESR2TOP1KDM4E
SCHEMBL6780838 0.99 HRAS (0.42) HRASESR1ESR2TOP1KDM4E
SCHEMBL6786934 0.93 HDAC1 (0.42) HRASESR1ESR2TOP1KDM4E
SCHEMBL6780499 0.91 HRAS (0.43) HRASESR1ESR2TOP1KDM4E
SCHEMBL7118414 0.90 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL7117804 0.90 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL6781278 0.86 HDAC1 (0.47) HRASESR1ESR2TOP1KDM4E
SCHEMBL6776858 0.86 HDAC1 (0.47) HRASESR1ESR2TOP1KDM4E
SCHEMBL3454590 0.86 HRAS (0.50) HRASESR1ESR2TOP1KDM4E
SCHEMBL6780841 0.86 HRAS (0.50) HRASESR1ESR2TOP1KDM4E

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