SCHEMBL24201201

SCHEMBL24201201

C=C/C=C(\C=C)N1C(=O)/C(=C/c2ccc3c(cnn3C)c2)S/C1=N\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ ACP1 P24666 2/20 0.41
▸ FAAH O00519 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA9 Q16790 7/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL17295436 0.80 FAAH (0.59) LMNAAURKATDP1FAAHMEN1
SCHEMBL17295434 0.80 FAAH (0.59) LMNAAURKATDP1FAAHMEN1
SCHEMBL24201200 0.73 MAOB (0.37) —
SCHEMBL17295401 0.70 ALDH1A1 (0.49) LMNAAURKAPTPN1ACP1FAAH
SCHEMBL17295402 0.70 ALDH1A1 (0.49) LMNAAURKAPTPN1ACP1FAAH
SCHEMBL17295605 0.69 FAAH (0.55) LMNAFAAHSMN1; SMN2CA9CA2
SCHEMBL17295607 0.69 FAAH (0.55) LMNAFAAHSMN1; SMN2CA9CA2
SCHEMBL17295633 0.68 FAAH (0.53) AURKAFAAHCA9ALDH1A1KMT2A
SCHEMBL17295634 0.68 FAAH (0.53) AURKAFAAHCA9ALDH1A1KMT2A
SCHEMBL17295536 0.68 FAAH (0.52) FAAHSMN1; SMN2CA9CA2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148990-B1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIV BERN (CH) 2022-01-19 — — EP disclosed
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