SCHEMBL9714123

SCHEMBL9714123

Cn1cc(NC(=O)c2cc(NC=O)cn2C)cc1NC(=O)c1cc(C(=O)NCCC(=N)N)n(C)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.81
ESR1 P03372 13/20 0.81
ESR2 Q92731 13/20 0.81
TOP1 P11387 2/20 0.81
KDM4E B2RXH2 1/20 0.80
POLB P06746 1/20 0.80
MAPT P10636 1/20 0.80
HIF1A Q16665 1/20 0.80
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
PKM P14618 1/20 0.34
USP4 Q13107 1/20 0.31
USP7 Q93009 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
SCHEMBL4857581 0.96 HRAS (0.74) HRASESR1ESR2TOP1KDM4E
SCHEMBL9713948 0.95 HRAS (0.73) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL108585 0.90 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002814 0.90 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL193003 0.89 KDM4E (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL14573087 0.83 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL7125320 0.82 HRAS (0.83) HRASESR1ESR2TOP1KDM4E
SCHEMBL4852635 0.81 HRAS (0.53) HRASESR1ESR2TOP1KDM4E
SCHEMBL22590340 0.81 HRAS (0.80) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL29375648 0.81 KDM4E (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009574-A2 POLY-AMINOPYRROLECARBOXAMIDO DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1992-06-11 WO claimed
WO-1992009574-A2 POLY-AMINOPYRROLECARBOXAMIDO DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1992-06-11 WO disclosed