SCHEMBL17301899

SCHEMBL17301899

COc1cc(CCCN(Cc2cnc(C)n2C)c2ccc(C#N)cn2)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.35
▸ NSD2 O96028 2/20 0.34
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ STS P08842 1/20 0.31
▸ ICMT O60725 1/20 0.30

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 0.91 CYP19A1 (0.38) CYP19A1NSD2FNTAFNTBPGGT1B
SCHEMBL17302059 0.86 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17295273 0.83 NSD2 (0.34) CYP19A1NSD2FNTAFNTBPGGT1B
SCHEMBL17295329 0.76 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL17295548 0.75 CYP19A1 (0.42) CYP19A1FNTAFNTBPGGT1B
SCHEMBL17301909 0.75 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL17295311 0.74 NSD2 (0.37) CYP19A1NSD2FNTAFNTBPGGT1B
SCHEMBL17301918 0.74 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL17295308 0.71 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL17295546 0.71 FNTA (0.43) 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 1 patent. 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
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