SCHEMBL18434657

SCHEMBL18434657

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.84
PKM P14618 1/20 0.84
HGFAC Q04756 1/20 0.72
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
NR1H4 Q96RI1 1/20 0.62
GAA P10253 2/20 0.61
HPGD P15428 1/20 0.61
ALOX5 P09917 1/20 0.60
CES1 P23141 1/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
SRD5A2 P31213 1/20 0.56
XDH P47989 1/20 0.55

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
SCHEMBL542043 1.00 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL4951809 1.00 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL10636579 1.00 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL3145157 0.95 KMT2A (0.77) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL16375430 0.95 KMT2A (0.77) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL12489991 0.95 PKM (0.77) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL9786893 0.93 KMT2A (0.74) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL9135711 0.93 KMT2A (0.74) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL8202880 0.93 KMT2A (0.74) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL11613038 0.93 KMT2A (0.74) KMT2APKMHGFACMAPTALDH1A1

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
EP-2706402-B1 Optical compensation films based on stretched polymer films AKRON POLYMER SYSTEMS (US) 2017-02-01 EP disclosed