SCHEMBL17295340

SCHEMBL17295340

O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=Nc2ccc(F)cc2)N1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ MGAM O43451 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ CA9 Q16790 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CFTR P13569 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ PIM1 P11309 1/20 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
SCHEMBL17295338 1.00 FAAH (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096526 0.95 FAAH (0.58) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096521 0.91 FAAH (0.58) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096261 0.91 FAAH (0.58) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096218 0.91 FAAH (0.58) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096569 0.91 MEN1 (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295646 0.91 MEN1 (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295644 0.91 MEN1 (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19096607 0.86 MGAM (0.46) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17295281 0.85 FAAH (0.62) 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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