SCHEMBL11117550

SCHEMBL11117550

O=C(Oc1ccccc1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
PKM P14618 1/20 0.57
NPC1 O15118 1/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CES1 P23141 2/20 0.51
CES2 O00748 1/20 0.51
ALOX5 P09917 4/20 0.51
PTGES O14684 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
TYMS P04818 1/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL688142 0.85 ESR1 (0.62) KMT2ANPC1MAPTALDH1A1MEN1
SCHEMBL19475609 0.83 KMT2A (0.68) KMT2APKMMAPTALDH1A1CES1
SCHEMBL2885963 0.83 ALOX5 (0.63) KMT2APKMMAPTALDH1A1CES1
SCHEMBL10689859 0.82 MAPT (0.58) KMT2APKMNPC1MAPTALDH1A1
SCHEMBL10377804 0.80 ESR1 (0.57) KMT2AMAPTALDH1A1CES2MEN1
SCHEMBL9156958 0.80 NR1H4 (0.53) KMT2APKMMAPTALDH1A1CES1
SCHEMBL9316017 0.80 KMT2A (0.49) KMT2APKMNPC1MAPTALDH1A1
SCHEMBL1918507 0.79 KMT2A (0.71) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL5973956 0.79 ALOX5 (0.73) KMT2APKMMAPTALDH1A1CES1
SCHEMBL7748386 0.79 KMT2A (0.67) KMT2ANPC1MAPTALDH1A1MEN1

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-4444844-A LEUCO DYE, SPECIFIC PHENYL BENZOATES AS DEVELOPER AND PROMOTER, FOR HIGH SPEED AND DENSITY RICOH CO., LTD. (JP) 1984-04-24 US disclosed