SCHEMBL17295442

SCHEMBL17295442

O=C1C(=Cc2ccc3[nH]cnc3c2)SC(=Nc2ccccc2)N1CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA9 Q16790 9/20 0.48
▸ CA2 P00918 1/20 0.48
▸ FAAH O00519 1/20 0.48
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ PTPN1 P18031 6/20 0.46
▸ ACP1 P24666 5/20 0.46
▸ PTPN2 P17706 4/20 0.46
▸ AKR1B1 P15121 1/20 0.46

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
SCHEMBL17295441 1.00 LMNA (0.49) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295632 0.90 LMNA (0.57) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295631 0.90 LMNA (0.57) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295285 0.90 ALDH1A1 (0.49) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295287 0.90 ALDH1A1 (0.49) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295405 0.89 CA9 (0.60) CA9CA2PTPN1ACP1
SCHEMBL17295403 0.89 CA9 (0.60) CA9CA2PTPN1ACP1
SCHEMBL17295378 0.84 MAPT (0.51) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295392 0.84 PTPN1 (0.51) LMNAHPGDSMN1; SMN2CA9CA2
SCHEMBL17295389 0.84 PTPN1 (0.51) LMNAHPGDSMN1; SMN2CA9CA2

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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