SCHEMBL6780499

SCHEMBL6780499

C=C(Cl)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 12/20 0.43
ESR1 P03372 12/20 0.43
ESR2 Q92731 12/20 0.43
TOP1 P11387 2/20 0.43
MAPT P10636 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 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 0.91 HRAS (0.43) HRASESR1ESR2TOP1MAPT
SCHEMBL6783647 0.91 HRAS (0.43) HRASESR1ESR2TOP1MAPT
SCHEMBL7127781 0.90 HRAS (0.48) HRASESR1ESR2TOP1MAPT
SCHEMBL6780838 0.90 HRAS (0.42) HRASESR1ESR2TOP1MAPT
SCHEMBL6781584 0.85 HRAS (0.49) HRASESR1ESR2TOP1MAPT
SCHEMBL6780457 0.85 HRAS (0.49) HRASESR1ESR2TOP1MAPT
SCHEMBL6782691 0.84 HRAS (0.48) HRASESR1ESR2TOP1MAPT
SCHEMBL6786934 0.84 HDAC1 (0.42) HRASESR1ESR2TOP1MAPT
SCHEMBL6782603 0.83 HRAS (0.47) HRASESR1ESR2TOP1MAPT
SCHEMBL6776396 0.83 HRAS (0.47) HRASESR1ESR2TOP1MAPT

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