SCHEMBL17295542

SCHEMBL17295542

COc1ccc(CN=C2SC(=Cc3ccc4[nH]ccc4c3)C(=O)N2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.54
▸ S1PR3 Q99500 13/20 0.54
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ FAAH O00519 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ ACP1 P24666 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL17295541 1.00 S1PR1 (0.54) S1PR1S1PR3ALDH1A1MAPTHPGD
SCHEMBL17295344 0.89 S1PR1 (0.47) S1PR1S1PR3ALDH1A1MAPTHPGD
SCHEMBL17295343 0.89 S1PR1 (0.47) S1PR1S1PR3ALDH1A1MAPTHPGD
SCHEMBL17302226 0.87 FAAH (0.66) S1PR1S1PR3ALDH1A1MAPTFAAH
SCHEMBL17295365 0.85 S1PR1 (0.44) S1PR1S1PR3ALDH1A1MAPTHPGD
SCHEMBL17295367 0.85 S1PR1 (0.44) S1PR1S1PR3ALDH1A1MAPTHPGD
SCHEMBL17295397 0.85 FAAH (0.66) S1PR1S1PR3ALDH1A1MAPTFAAH
SCHEMBL29726570 0.85 FAAH (0.66) S1PR1S1PR3ALDH1A1MAPTFAAH
SCHEMBL17295400 0.85 FAAH (0.66) S1PR1S1PR3ALDH1A1MAPTFAAH
SCHEMBL29726499 0.85 S1PR1 (0.44) S1PR1S1PR3ALDH1A1MAPTHPGD

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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