SCHEMBL11724634

SCHEMBL11724634

Cc1ccsc1SC(C)CC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
ALOX5 P09917 2/20 0.35
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8588511 0.68 FDPS (0.51) GSK3BALOX5GAANPC1RAB9A
SCHEMBL21445082 0.65 GSK3B (0.40) GSK3BALOX5GAANPC1RAB9A
SCHEMBL9350805 0.65 CYP1A2 (0.44) GSK3BGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL11433211 0.64 ALOX5 (0.50) GSK3BALOX5ALDH1A1KMT2APOLB
SCHEMBL9737844 0.64 ALDH1A1 (0.33) GSK3BNPC1RAB9AALDH1A1HPGD
SCHEMBL6536809 0.62 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8588740 0.62 NPC1 (0.39) GSK3BALOX5GAANPC1RAB9A
SCHEMBL9639925 0.62 ALOX5 (0.51) GSK3BALOX5GAANPC1RAB9A
SCHEMBL11605025 0.62 MAP2K7 (0.43) GSK3BGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL27347277 0.61 ALOX5 (0.47) GSK3BALOX5GAANPC1RAB9A

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-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed