SCHEMBL17295175

SCHEMBL17295175

Cc1ncc(CN(CCCc2ccc(-c3ccccc3C(N)=O)cc2)c2ccc(C#N)cc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ BRS3 P32247 2/20 0.41
▸ FNTA P49354 7/20 0.40
▸ FNTB P49356 7/20 0.40
▸ PGGT1B P53609 7/20 0.40
▸ LPAR1 Q92633 3/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 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
SCHEMBL17295311 0.87 NSD2 (0.37) FNTAFNTBPGGT1B
SCHEMBL17295207 0.86 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL17295548 0.80 CYP19A1 (0.42) FNTAFNTBPGGT1B
SCHEMBL17295273 0.79 NSD2 (0.34) FNTAFNTBPGGT1BLPAR1
SCHEMBL17295383 0.78 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL17295342 0.78 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL17295235 0.77 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL17295206 0.77 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17295151 0.75 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL17295310 0.75 FNTA (0.49) 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 3 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 claimed
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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