SCHEMBL11748152

SCHEMBL11748152

Cc1ccc(-c2nc(C(S)C(=O)O)sc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ XIAP P98170 3/20 0.45
▸ PTGS2 P35354 3/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ EGFR P00533 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11754171 1.00 MAPT (0.47) MAPTKDM4ELMNAMAPK1XBP1
SCHEMBL11753660 0.96 MAPT (0.50) MAPTKDM4ELMNAMAPK1XBP1
SCHEMBL11042394 0.92 PTGS2 (0.49) MAPTKDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL10801295 0.82 ALDH1A1 (0.54) MAPTKDM4ELMNAPTGS2PTGS1
SCHEMBL11041561 0.82 PTGDR2 (0.45) KDM4ESMN1; SMN2PTGS2PTGS1ALDH1A1
SCHEMBL11754131 0.80 L3MBTL1 (0.49) MAPTKDM4ELMNAMAPK1NPSR1
SCHEMBL11751365 0.80 L3MBTL1 (0.49) MAPTKDM4ELMNAMAPK1MEN1
SCHEMBL11750815 0.80 ALDH1A1 (0.50) MAPTKDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL5732537 0.79 XIAP (0.53) MAPTKDM4EXIAPPTGS2PTGS1
SCHEMBL11751717 0.77 DHODH (0.43) MAPTKDM4ELMNASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US claimed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 — — US claimed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 — — US disclosed
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