SCHEMBL20122473

SCHEMBL20122473

CC(C)(SC(=O)c1cccs1)C(=O)N[C@@H](CSC(=O)c1cccs1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 2/20 0.39
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ CYP2C9 P11712 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL20122454 0.88 MAPT (0.45) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122460 0.87 ACE (0.51) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122511 0.86 MAPT (0.34) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122512 0.86 MAPT (0.34) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122510 0.84 HPGD (0.40) MAPTADAM17KMT2AATMHPGD
SCHEMBL9630054 0.83 MAPT (0.52) MAPTADAM17KMT2AATMERCC5
SCHEMBL9630045 0.83 MAPT (0.52) MAPTADAM17KMT2AATMERCC5
SCHEMBL11385539 0.81 KMT2A (0.53) MAPTADAM17KMT2AATMTSHR
SCHEMBL11385542 0.81 KMT2A (0.53) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122403 0.80 CHRM1 (0.32) MAPTADAM17KMT2AATMTSHR

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-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 — — US disclosed
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