SCHEMBL30463111

SCHEMBL30463111

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.46
FNTB P49356 9/20 0.46
PGGT1B P53609 3/20 0.46
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.41

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
SCHEMBL31619369 0.94 FNTA (0.42) FNTAFNTBPGGT1BLMNA
SCHEMBL29592643 0.92 FNTA (0.48) FNTAFNTBPGGT1BLMNA
SCHEMBL30591103 0.92 FNTA (0.48) FNTAFNTBPGGT1BLMNA
SCHEMBL27883382 0.92 FNTA (0.49) FNTAFNTBPGGT1BLMNALTA4H
SCHEMBL2546713 0.92 FNTA (0.49) FNTAFNTBPGGT1BLMNALTA4H
SCHEMBL8749207 0.91 FNTA (0.46) FNTAFNTBPGGT1BLMNA
SCHEMBL8749214 0.91 FNTA (0.46) FNTAFNTBPGGT1BLMNA
SCHEMBL30083969 0.90 BMP1 (0.44) FNTAFNTBPGGT1BLMNA
SCHEMBL29630691 0.90 ECE1 (0.45) FNTAFNTBPGGT1BLMNA
SCHEMBL29630680 0.89 KMT2A (0.47)

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
CN-116813690-A Selective sulfonation of benzodiazepine derivatives 伊缪诺金公司 2023-09-29 CN claimed
CN-110392685-B Selective sulfonation of benzodiazepine derivatives 伊缪诺金公司 2023-07-04 CN disclosed