SCHEMBL6780028

SCHEMBL6780028

C=C(Br)C(=O)Nc1ccn(C)c1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCNC(=N)N)n(C)n3)n(C)c2)n(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.43
ESR1 P03372 13/20 0.43
ESR2 Q92731 13/20 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 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL6780543 0.91 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL6779962 0.91 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL3872800 0.90 KDM4E (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL6491288 0.90 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
SCHEMBL6779932 0.90 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6781969 0.89 KDM4E (0.50) HRASESR1ESR2TOP1KDM4E
SCHEMBL6779732 0.88 TOP1 (0.41) HRASESR1ESR2TOP1KDM4E
SCHEMBL6784965 0.85 HRAS (0.43) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL4446155 0.84 KDM4E (0.60) HRASESR1ESR2TOP1KDM4E
SCHEMBL7509566 0.83 HRAS (0.60) 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