SCHEMBL8917157

SCHEMBL8917157

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cc1C(=O)NCCC#N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 13/20 0.54
ESR1 P03372 13/20 0.54
ESR2 Q92731 13/20 0.54
TOP1 P11387 2/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL7328867 1.00 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6180839 0.99 KDM4E (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL4858229 0.91 TOP1 (0.41) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL4860217 0.90 MAPT (0.42) HRASESR1ESR2TOP1KDM4E
SCHEMBL7127894 0.86 HRAS (0.69) HRASESR1ESR2TOP1KDM4E
SCHEMBL4757631 0.85 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL19493847 0.85 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL27277513 0.84 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27272389 0.84 HRAS (0.54) HRASESR1ESR2TOP1KDM4E
SCHEMBL27275903 0.84 HRAS (0.54) 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
US-5616606-A DISTAMYCIN DERIVATIVES; DEACTIVATION OF NUCLEIC ACIDS BY BINDING WITH NO STERIC HINDRANCE PROBLEMS; HIV AND HEPATITUS VIRUS SYNPHAR LABORATORIES, INC. (CA) 1997-04-01 US disclosed
WO-1992013838-A1 OLIGOPEPTIDE ANTIRETROVIRAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1992-08-20 WO disclosed