SCHEMBL3809008

SCHEMBL3809008

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3814674 0.88 GAA (0.40) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL2157712 0.86 — —
SCHEMBL3811068 0.80 KDM4E (0.39) KDM4EMAPT
SCHEMBL3816733 0.78 HPGD (0.36) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3816963 0.76 USP2 (0.41) KDM4EMAPTHTT
SCHEMBL3816881 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3815360 0.75 KDM4E (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL2158088 0.75 — —
SCHEMBL3812533 0.74 MAPT (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3807569 0.74 HSD17B1 (0.45) —

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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