SCHEMBL6776515

SCHEMBL6776515

CSCC[C@H](N)C(=O)OC(=O)c1ccc(Sc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PGGT1B P53609 1/20 0.37
MARS1 P56192 1/20 0.35
GCK P35557 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL6777898 0.82 PTGS2 (0.39) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6624888 0.80 FNTA (0.44) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6775076 0.80 FNTA (0.38) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6624205 0.80 FNTA (0.56) FNTAFNTBTDP1PGGT1B
SCHEMBL6672023 0.80 NPC1 (0.44) FNTAFNTBTDP1PGGT1B
SCHEMBL8608789 0.80 FNTA (0.44) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6628222 0.79 FNTA (0.54) FNTAFNTBTDP1PGGT1B
SCHEMBL6628219 0.79 FNTA (0.54) FNTAFNTBTDP1PGGT1B
SCHEMBL6777404 0.78 KMT2A (0.48) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6775938 0.78 PTGDR2 (0.48) FNTAFNTBTDP1PGGT1B

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
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed