SCHEMBL7504409

SCHEMBL7504409

Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)nn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.69
ESR1 P03372 13/20 0.69
ESR2 Q92731 13/20 0.69
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
TOP1 P11387 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
EP300 Q09472 1/20 0.36

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
SCHEMBL7514039 1.00 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7510593 1.00 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7574089 1.00 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7506821 1.00 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7505515 1.00 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
Hydrochloric Acid SCHEMBL7569463 0.99 HRAS (0.69) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7503771 0.95 HRAS (0.60) HRASESR1ESR2HDAC1HDAC2
SCHEMBL4620840 0.95 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2
SCHEMBL7502682 0.95 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2
Hydrochloric Acid SCHEMBL7511681 0.94 HRAS (0.76) HRASESR1ESR2HDAC1HDAC2

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
EP-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 EP claimed