SCHEMBL17295458

SCHEMBL17295458

Cc1ccc(N=C2SC(=Cc3ccc4[nH]cnc4c3)C(=O)N2c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.59
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CA9 Q16790 1/20 0.41
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17295455 1.00 FAAH (0.59) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295411 0.95 FAAH (0.56) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295413 0.95 FAAH (0.56) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17302224 0.95 FAAH (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17302139 0.88 MEN1 (0.59) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17302229 0.86 FAAH (0.63) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295394 0.86 FAAH (0.63) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295390 0.86 FAAH (0.63) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295643 0.84 FAAH (0.45) FAAHMEN1KMT2AMAPTS1PR1
SCHEMBL17295640 0.84 FAAH (0.45) FAAHMEN1KMT2AMAPTS1PR1

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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