SCHEMBL27989339

SCHEMBL27989339

[CH2]c1ccc(-c2ccco2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.53
▸ POLB P06746 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 2/20 0.41
▸ PGR P06401 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8811888 0.78 ERN1 (0.50) ERN1POLBMAPTTP53PGR
SCHEMBL19475454 0.78 ERN1 (0.50) ERN1POLBMAPTTP53NPC1
SCHEMBL5239065 0.75 CRHBP (0.58) POLBMAPTMAPK1MEN1KMT2A
SCHEMBL1314970 0.74 NR4A2 (0.54) ERN1POLBMAPTTP53NPC1
SCHEMBL27989353 0.73 ERN1 (0.52) ERN1POLBMAPTMAPK1MEN1
SCHEMBL3090591 0.73 TAAR1 (0.52) ERN1POLBMAPTTAAR1NPC1
SCHEMBL1478380 0.72 MAPT (0.66) MAPTKEAP1NPC1MAPK1RAB9A
SCHEMBL12767808 0.70 ERN1 (1.00) ERN1
SCHEMBL3297116 0.69 TAAR1 (0.61) ERN1POLBMAPTPGRKEAP1
SCHEMBL5557695 0.68 ALDH1A1 (0.53) ERN1POLBMAPTNPC1MAPK1

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-102333757-B N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2014-11-26 — — CN disclosed
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