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Sugi Predict / Compounds / SCHEMBL7509817

SCHEMBL7509817

SCHEMBL7509817

Cn1cc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(C)n3)n(C)c2)n(C)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 14/20 0.72
▸ ESR1 P03372 13/20 0.72
▸ ESR2 Q92731 13/20 0.72
▸ TOP1 P11387 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL7512502 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7504931 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7500280 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7501157 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7506296 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7503106 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7505523 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7498611 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7506279 1.00 HRAS (0.72) HRASESR1ESR2TOP1KDM4E
SCHEMBL7510956 1.00 HRAS (0.72) 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
EP-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 — — EP disclosed