SCHEMBL17295376

SCHEMBL17295376

O=C1C(=Cc2ccccc2)SC(=Nc2ccccc2)N1Cc1ccco1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.76
▸ CA9 Q16790 10/20 0.64
▸ LMNA P02545 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ FNTA P49354 1/20 0.63
▸ FNTB P49356 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ HPGD P15428 1/20 0.55
▸ MGAM O43451 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ PTPN1 P18031 2/20 0.55
▸ ACP1 P24666 2/20 0.55
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL17302245 1.00 FAAH (0.76) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL22386375 0.93 FAAH (0.73) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17309449 0.93 FAAH (0.76) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL19481515 0.93 FAAH (0.76) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17302247 0.91 FAAH (0.70) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17295283 0.91 FAAH (0.70) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17302232 0.90 CA9 (0.69) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17309395 0.87 FAAH (1.00) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17295570 0.84 FAAH (0.64) FAAHCA9LMNASMN1; SMN2MEN1
SCHEMBL17295572 0.84 FAAH (0.64) FAAHCA9LMNASMN1; SMN2MEN1

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
EP-3148990-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2017-04-05 — — EP disclosed
WO-2015181337-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2015-12-03 — — WO disclosed
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