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Sugi Predict / Compounds / SCHEMBL7085969

SCHEMBL7085969

SCHEMBL7085969

COc1cccc(C(=O)N(Cc2cncn2Cc2ccc(C#N)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)c1.COc1ccccc1C(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.43
▸ FNTB P49356 4/20 0.43
▸ PGGT1B P53609 2/20 0.42
▸ MAPKAPK2 P49137 4/20 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
SCHEMBL6708715 0.95 FNTA (0.47) FNTAFNTBPGGT1BMAPKAPK2
SCHEMBL6712828 0.94 FNTA (0.47) FNTAFNTBPGGT1BMAPKAPK2
SCHEMBL6711080 0.89 FNTA (0.46) FNTAFNTBPGGT1BMAPKAPK2
SCHEMBL6711521 0.88 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL6710769 0.88 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6715197 0.87 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL6708786 0.87 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6715053 0.87 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL6711027 0.86 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6714966 0.86 FNTA (0.48) FNTAFNTBPGGT1B

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
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 — — EP claimed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 — — WO claimed