SCHEMBL27889362

SCHEMBL27889362

CS(=O)(=O)Nc1ccc(Sc2sc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP47 Q96K76 13/20 0.57
▸ USP7 Q93009 16/20 0.55
▸ PADI4 Q9UM07 1/20 0.55
▸ USP10 Q14694 1/20 0.42
▸ P2RY14 Q15391 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1455298 0.81 USP47 (0.65) USP47USP7PADI4USP10P2RY14
SCHEMBL4976935 0.79 USP47 (0.62) USP47USP7PADI4USP10P2RY14
SCHEMBL28798100 0.76 MAPT (0.56) —
SCHEMBL27872955 0.72 VCAM1 (0.55) KDM4E
SCHEMBL2680315 0.72 USP7 (0.79) USP47USP7PADI4USP10
SCHEMBL2681880 0.71 USP47 (0.85) USP47USP7PADI4USP10KDM4E
SCHEMBL2681089 0.71 USP7 (0.77) USP47USP7PADI4USP10
SCHEMBL29279218 0.71 USP47 (0.76) USP47USP7PADI4USP10
SCHEMBL2681075 0.71 USP7 (1.00) USP47USP7PADI4USP10
SCHEMBL7692217 0.70 ALDH1A1 (0.46) KDM4ETDP1

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
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
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