SCHEMBL6777898

SCHEMBL6777898

CSCC[C@H](N)C(=O)OC(=O)c1ccc(Oc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PGGT1B P53609 1/20 0.37
SLC1A5 Q15758 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
MARS1 P56192 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
SCHEMBL6776515 0.82 FNTA (0.39) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6624888 0.80 FNTA (0.44) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6775076 0.80 FNTA (0.38) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL7140058 0.80 FNTA (0.56) FNTAFNTBTDP1PGGT1B
SCHEMBL6772100 0.80 FNTA (0.56) FNTAFNTBTDP1PGGT1B
SCHEMBL6672023 0.80 NPC1 (0.44) FNTAFNTBTDP1PGGT1B
SCHEMBL6624627 0.80 FNTA (0.57) FNTAFNTBTDP1PGGT1B
SCHEMBL6627025 0.80 FNTA (0.57) FNTAFNTBTDP1PGGT1B
SCHEMBL8608789 0.80 FNTA (0.44) FNTAFNTBTDP1PGGT1BMARS1
SCHEMBL6777404 0.78 KMT2A (0.48) FNTAFNTBTDP1PGGT1BMARS1

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