SCHEMBL17295428

SCHEMBL17295428

O=C1C(=Cc2ccc3[nH]cnc3c2)SC(=NCc2ccccc2)N1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.44
▸ S1PR1 P21453 10/20 0.43
▸ S1PR3 Q99500 10/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ BLM P54132 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MGAM O43451 2/20 0.39
▸ SI P14410 2/20 0.39
▸ MGAM2 Q2M2H8 2/20 0.39

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
SCHEMBL17295426 1.00 FAAH (0.44) FAAHS1PR1S1PR3MAPTMEN1
SCHEMBL17295527 0.97 S1PR1 (0.45) FAAHS1PR1S1PR3MAPTMEN1
SCHEMBL17295529 0.97 S1PR1 (0.45) FAAHS1PR1S1PR3MAPTMEN1
SCHEMBL17295639 0.94 S1PR1 (0.48) S1PR1S1PR3MAPTMEN1KMT2A
SCHEMBL17295641 0.94 S1PR1 (0.48) S1PR1S1PR3MAPTMEN1KMT2A
SCHEMBL17295292 0.89 S1PR1 (0.50) FAAHS1PR1S1PR3MAPTMEN1
SCHEMBL17295290 0.89 S1PR1 (0.50) FAAHS1PR1S1PR3MAPTMEN1
SCHEMBL17295520 0.86 ALDH1A1 (0.49) S1PR1S1PR3MAPTMEN1KMT2A
SCHEMBL17295518 0.86 ALDH1A1 (0.49) S1PR1S1PR3MAPTMEN1KMT2A
SCHEMBL17295250 0.86 S1PR1 (0.45) S1PR1S1PR3MAPTMEN1KMT2A

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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