SCHEMBL10521093

SCHEMBL10521093

CN(C)Cc1cccc(OCC(=O)NCc2cc(-c3csc(N)n3)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.47
▸ ROCK1 Q13464 7/20 0.43
▸ ROCK2 O75116 6/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ATP4A P20648 2/20 0.41
▸ ATP4B P51164 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL10518366 0.88 MAPT (0.53) LSSROCK1ROCK2LTA4HADORA2A
SCHEMBL10520078 0.86 LSS (0.39) LSSROCK1ATP4AATP4BCYP3A4
SCHEMBL10520818 0.85 HPGD (0.48) HPGDTRPM8SMN1; SMN2HRH2HRH4
SCHEMBL10521863 0.85 LSS (0.50) LSSROCK1ROCK2LTA4HADORA2A
SCHEMBL10623949 0.83 HRH2 (0.47) ROCK1PRKACASMN1; SMN2HRH2
SCHEMBL10519858 0.76 TSHR (0.43) LSSROCK1ROCK2LTA4HCYP3A4
SCHEMBL10519095 0.75 ALDH1A1 (0.44) LTA4HHPGDSMN1; SMN2HRH2HRH4
SCHEMBL10520529 0.75 ALDH1A1 (0.46) HPGDSMN1; SMN2NOS1HRH2HRH4
SCHEMBL10521322 0.75 MAPT (0.55) LSSROCK1ROCK2HPGDTRPM8
SCHEMBL10519036 0.73 ALDH1A1 (0.53) LSSROCK1CYP3A4PRKACAHPGD

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-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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