SCHEMBL13633241

SCHEMBL13633241

COc1ccc(C[C@H](N)CSC)cc1S

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ LDHA P00338 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ FOS P01100 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 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
SCHEMBL13623724 0.83 SIGMAR1 (0.43) SIGMAR1ALOX15ALOX12LDHASLC6A4
SCHEMBL13067270 0.81 SLC6A4 (0.53) ALOX15ALOX12SLC6A4
SCHEMBL13623709 0.77 ADRA1D (0.48) ALOX15ALOX12LDHACA2
SCHEMBL13623743 0.76 SIGMAR1 (0.36) SIGMAR1ALOX15ALOX12LDHASLC6A4
Hydrochloric Acid SCHEMBL4365244 0.76 ADRA1D (0.47) SIGMAR1ALOX15ALOX12LDHACA2
SCHEMBL14040035 0.74 LDHA (0.36) SIGMAR1ALOX15ALOX12LDHASLC6A4
SCHEMBL14534149 0.74 SLC6A4 (0.61) LDHASLC6A4
SCHEMBL14039756 0.73 LDHA (0.38) SIGMAR1ALOX15ALOX12LDHAFOS
SCHEMBL16930335 0.69 SIGMAR1 (0.56) SIGMAR1ALOX15ALOX12LDHAFOS
SCHEMBL10842397 0.69 LDHA (0.56) SIGMAR1ALOX15ALOX12LDHASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 — — US disclosed
EP-1697316-B1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PROD CHIM AUXILIAIRES ET DE SY (FR) 2008-10-08 — — EP disclosed
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