SCHEMBL9837442

SCHEMBL9837442

O=C(Cc1cccs1)NC(CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
POLB P06746 3/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.48

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
SCHEMBL6136542 0.87 PKM (0.62) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL5092768 0.84 PKM (0.63) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL5092771 0.84 PKM (0.63) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL5361025 0.83 PKM (0.58) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL11624114 0.81 PKM (0.62) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL20417902 0.79 PKM (0.63) PKMPOLBHPGDALDH1A1RAB9A
SCHEMBL3448804 0.78 CNR2 (0.57) POLBHPGDALDH1A1KMT2AMEN1
SCHEMBL1499949 0.78 CNR2 (0.57) POLBHPGDALDH1A1KMT2AMEN1
SCHEMBL1499948 0.78 CNR2 (0.57) POLBHPGDALDH1A1KMT2AMEN1
SCHEMBL13428947 0.78 PKM (0.70) PKMPOLBHPGDALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304778-B1 PROCESS FOR THE PRODUCTION OF N-ACYLATED MERCAPTO-ALPHA-AMINO ACIDS Degussa Aktiengesellschaft (DE) 1991-10-23 EP disclosed
US-4918223-A Method of preparing N-acylated mercapto-alpha-amino acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
EP-0304778-A1 Process for the production of N-acylated mercapto-alpha-amino acids Degussa Aktiengesellschaft (DE) 1989-03-01 EP disclosed