SCHEMBL17295400

SCHEMBL17295400

COc1ccc(N2C(=O)C(=Cc3ccc4[nH]ccc4c3)SC2=Nc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.66
▸ S1PR1 P21453 7/20 0.54
▸ S1PR3 Q99500 7/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ ACP1 P24666 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17295397 1.00 FAAH (0.66) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL29726570 1.00 FAAH (0.66) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17302226 0.96 FAAH (0.66) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295513 0.91 MEN1 (0.61) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295515 0.91 MEN1 (0.61) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17302231 0.86 FAAH (0.89) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL20933003 0.85 S1PR1 (0.50) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295541 0.85 S1PR1 (0.54) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295542 0.85 S1PR1 (0.54) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17295272 0.85 FAAH (0.61) FAAHS1PR1S1PR3MEN1KMT2A

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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