SCHEMBL11280948

SCHEMBL11280948

Cc1ccc(CCOc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
HSPB1 P04792 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CXCR5 P32302 1/20 0.48
APLNR P35414 1/20 0.48
CCR6 P51684 1/20 0.48
GFER P55789 1/20 0.48
ACHE P22303 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRA5 P31644 1/20 0.45
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42
CYP19A1 P11511 5/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 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
SCHEMBL29151248 0.86 KMT2A (0.58) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL11175467 0.86 MAPT (0.54) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL29151276 0.86 GABRA5 (0.52) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL11270776 0.84 MAPT (0.51) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL30354823 0.83 MAPT (0.60) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL29151236 0.83 MAPT (0.60) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL11133663 0.80 KCNH2 (0.63) KMT2AACHEHSD17B10MEN1KCNH2
SCHEMBL25553937 0.80 PIN1 (0.44) L3MBTL1KMT2ARAB9AMEN1NPC1
SCHEMBL17672793 0.79 HSPB1 (0.51) GAAL3MBTL1KMT2ARAB9AHSPB1
SCHEMBL15399370 0.79 CYP19A1 (0.56) GAAL3MBTL1KMT2AHSPB1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55122764-A None JP disclosed
US-4334912-A HERBICIDES WHICH ARE NONPHYTOTOXIC TO CROPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-15 US disclosed
JP-S55122764-A SUBSTITUTED PHENYLUREA DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING THE SAME AS EFFECTIVE COMPONENT SUMITOMO CHEM CO LTD 1980-09-20 JP disclosed