SCHEMBL6098358

SCHEMBL6098358

CCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)N[C@@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.49
▸ KCNA5 P22460 10/20 0.49
▸ MCL1 Q07820 2/20 0.44
▸ BCL2A1 Q16548 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ CTSA P10619 1/20 0.39

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
SCHEMBL5926310 1.00 METAP2 (0.49) METAP2KCNA5MCL1BCL2A1ALDH1A1
SCHEMBL5926378 0.88 KCNA5 (0.47) KCNA5MCL1BCL2A1CTSA
SCHEMBL5926687 0.87 KCNA5 (0.49) KCNA5MCL1BCL2A1ALDH1A1
SCHEMBL5926308 0.87 METAP2 (0.52) METAP2KCNA5MCL1BCL2A1
SCHEMBL5927111 0.84 ACLY (0.52) KCNA5CTSA
SCHEMBL5927453 0.82 KCNA5 (0.51) KCNA5MCL1BCL2A1
SCHEMBL5927393 0.80 KCNA5 (0.50) METAP2KCNA5MCL1BCL2A1CTSA
SCHEMBL5926355 0.80 CTSA (0.46) KCNA5CTSA
SCHEMBL5926732 0.79 KCNA5 (0.51) METAP2KCNA5MCL1CTSA
SCHEMBL5926476 0.79 ACLY (0.52) KCNA5MCL1CTSA

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
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