SCHEMBL1455158

SCHEMBL1455158

Nc1ccc(Sc2sc(C(=O)Nc3cccc(Br)c3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 17/20 0.49
▸ USP47 Q96K76 16/20 0.49
▸ PADI4 Q9UM07 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL1455918 0.92 USP7 (0.50) USP7USP47PADI4MEN1MAPT
SCHEMBL1455311 0.80 P2RX1 (0.43) MEN1MAPTKMT2ARAB9A
SCHEMBL2680616 0.80 USP7 (0.75) USP7USP47
SCHEMBL1454774 0.77 MEN1 (0.51) USP7USP47MEN1MAPTKMT2A
SCHEMBL4976935 0.77 USP47 (0.62) USP7USP47PADI4MEN1MAPT
SCHEMBL1455618 0.75 NPC1 (0.43) MEN1MAPTKMT2ARAB9A
SCHEMBL2680491 0.72 USP7 (0.78) USP7USP47
SCHEMBL2681089 0.71 USP7 (0.77) USP7USP47PADI4MAPT
SCHEMBL1455594 0.70 USP7 (0.55) USP7USP47PADI4MEN1MAPT
SCHEMBL1454559 0.70 PDE7A (0.54) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
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