SCHEMBL9316017

SCHEMBL9316017

CNc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 2/20 0.48
ALOX5 P09917 3/20 0.47
PTGES O14684 1/20 0.47
RAB9A P51151 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
AHR P35869 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TYMS P04818 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7748386 0.85 KMT2A (0.67) KMT2APOLBMAPTALDH1A1MEN1
SCHEMBL11117550 0.80 KMT2A (0.57) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL19475609 0.78 KMT2A (0.68) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL2885963 0.78 ALOX5 (0.63) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL9156958 0.78 NR1H4 (0.53) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL10689859 0.77 MAPT (0.58) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL8405084 0.76 NPSR1 (0.49) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL7743974 0.75 ALDH1A1 (0.46) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL30305563 0.74 KMT2A (0.59) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL9138188 0.74 KMT2A (0.67) KMT2APKMPOLBMAPTALDH1A1

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-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed