SCHEMBL17295646

SCHEMBL17295646

O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=Nc2ccccc2)N1c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ FAAH O00519 4/20 0.54
▸ CA9 Q16790 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ BLM P54132 1/20 0.52
▸ 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

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
SCHEMBL17295644 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL19096569 0.96 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL19096526 0.95 FAAH (0.58) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL17302145 0.93 MEN1 (0.62) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL19096261 0.91 FAAH (0.58) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL17295338 0.91 FAAH (0.54) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL19096521 0.91 FAAH (0.58) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL17295340 0.91 FAAH (0.54) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL17295576 0.90 FAAH (0.57) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL17295574 0.90 FAAH (0.57) MEN1KMT2AALDH1A1NPSR1FAAH

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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