SCHEMBL17295259

SCHEMBL17295259

Cc1ccc(N2C(=O)C(=Cc3ccc4[nH]ccc4c3)SC2=Nc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.57
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.52
▸ BLM P54132 1/20 0.52
▸ MGAM O43451 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ S1PR1 P21453 2/20 0.44
▸ S1PR3 Q99500 2/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.41

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
SCHEMBL17295257 1.00 FAAH (0.57) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295272 0.95 FAAH (0.61) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295271 0.95 FAAH (0.61) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295411 0.84 FAAH (0.56) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295413 0.84 FAAH (0.56) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295513 0.84 MEN1 (0.61) FAAHMEN1KMT2AMAPTNPSR1
SCHEMBL17295515 0.84 MEN1 (0.61) FAAHMEN1KMT2AMAPTNPSR1
SCHEMBL17302226 0.81 FAAH (0.66) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295400 0.81 FAAH (0.66) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295397 0.81 FAAH (0.66) FAAHMEN1KMT2AMAPTSMN1; SMN2

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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