SCHEMBL3814674

SCHEMBL3814674

Cc1ccc(S(=O)(=O)N(C)c2cc(-c3ccccc3)sc2OC(=O)O)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 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
SCHEMBL3809008 0.88 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL3814650 0.85 ACLY (0.39) LMNAHSD17B1HSD17B2
SCHEMBL2158088 0.84 — —
SCHEMBL3807569 0.79 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL3816881 0.78 ALDH1A1 (0.56) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3811068 0.76 KDM4E (0.39) KDM4EMAPTHSD17B1HSD17B2
SCHEMBL2157712 0.76 — —
SCHEMBL3816560 0.74 HSD17B1 (0.44) LMNAHSD17B1HSD17B2
SCHEMBL3816733 0.73 HPGD (0.36) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL3817235 0.72 HSD17B1 (0.45) GAAALDH1A1HPGDMAPTHSD17B10

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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