SCHEMBL17295548

SCHEMBL17295548

Cc1ncc(CN(CCCc2ccc(Br)cc2)c2ccc(C#N)cc2)n1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.42
▸ FNTA P49354 13/20 0.40
▸ FNTB P49356 13/20 0.40
▸ PGGT1B P53609 12/20 0.40
▸ GAA P10253 1/20 0.37

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
SCHEMBL17302044 0.85 CYP19A1 (0.38) CYP19A1FNTAFNTBPGGT1B
SCHEMBL17295141 0.82 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL17295175 0.80 LTB4R2 (0.42) FNTAFNTBPGGT1B
SCHEMBL17301899 0.75 CYP19A1 (0.35) CYP19A1FNTAFNTBPGGT1B
SCHEMBL17295311 0.73 NSD2 (0.37) CYP19A1FNTAFNTBPGGT1B
SCHEMBL17295308 0.73 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL17301896 0.72 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL17301910 0.71 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17301901 0.71 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL17302057 0.70 FNTA (0.45) 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
WO-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
WO-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
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