SCHEMBL11060992

SCHEMBL11060992

COc1ccc(Oc2ccc([N+](=O)[O-])c(C)c2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.49
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 3/20 0.44
HTR7 P34969 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PAX8 Q06710 1/20 0.42
HSPB1 P04792 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 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
SCHEMBL11983744 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2KMT2AMAPT
SCHEMBL1635436 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDKMT2ANPC1
SCHEMBL21295387 0.78 TDP1 (0.52) ALDH1A1MAPK1SMN1; SMN2KMT2ANPC1
SCHEMBL18988345 0.78 MERTK (0.54) MERTKALDH1A1MAPK1HTR7HPGD
SCHEMBL810817 0.77 ALDH1A1 (0.65) ALDH1A1MAPK1HPGDSMN1; SMN2KMT2A
SCHEMBL4466194 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2KMT2AMAPT
SCHEMBL31077739 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2KMT2AMAPT
SCHEMBL9411402 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1KMT2ARAB9AMEN1
SCHEMBL18153628 0.76 MEN1 (0.57) ALDH1A1MAPK1HPGDSMN1; SMN2KMT2A
SCHEMBL1298266 0.76 MERTK (0.52) MERTKALDH1A1MAPK1HTR7HPGD

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
US-4436804-A Light-sensitive polymeric diazonium condensates and reproduction compositions and materials therewith AMERICAN HOECHST CORPORATION (US) 1984-03-13 US disclosed