SCHEMBL17295576

SCHEMBL17295576

Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.57
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ CA9 Q16790 2/20 0.53
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ S1PR1 P21453 4/20 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
SCHEMBL17295574 1.00 FAAH (0.57) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295538 0.96 FAAH (0.57) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295539 0.96 FAAH (0.57) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295281 0.95 FAAH (0.62) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295279 0.95 FAAH (0.62) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17302145 0.93 MEN1 (0.62) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL19096521 0.91 FAAH (0.58) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL19096261 0.91 FAAH (0.58) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL19096218 0.91 FAAH (0.58) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295646 0.90 MEN1 (0.54) FAAHMEN1KMT2AALDH1A1NPSR1

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
Send feedback