SCHEMBL2593856

SCHEMBL2593856

Nc1ccc(N=C=O)cc1C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CCR5 P51681 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
SCHEMBL1058873 0.80 RAB9A (0.64) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL16225691 0.75 RAB9A (0.48) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL9506104 0.73 ALDH1A1 (0.47) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL27056757 0.72 MAOB (0.42) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL16225736 0.72 RAB9A (0.42) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL31346758 0.71 ALDH1A1 (0.56) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL11349758 0.71 MAOB (0.48) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL27056792 0.71 RAB9A (0.41) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL8673819 0.70 ALDH1A1 (0.47) RAB9AALDH1A1TSHRMAPTMEN1
SCHEMBL1058198 0.70 MAOB (0.43) RAB9AALDH1A1TSHRMAPTMEN1

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
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 — — WO disclosed
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