SCHEMBL10139723

SCHEMBL10139723

COCCn1c(=O)[nH]c2cc([N+](=O)OC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 9/20 0.43
GAA P10253 6/20 0.43
HSD17B10 Q99714 6/20 0.43
KDM4E B2RXH2 5/20 0.43
GLA P06280 5/20 0.43
HPGD P15428 4/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL10139260 0.87 SIRT2 (0.51) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL10138692 0.81 LMNA (0.47) GAAKDM4ESIRT2TP53
SCHEMBL10169863 0.80 KMT2A (0.55) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL10138713 0.79 KMT2A (0.51) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL19705040 0.76 PTGER4 (0.55) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL740232 0.75 RAB9A (0.68) KMT2ARAB9AMEN1ALDH1A1HPGD
SCHEMBL5243499 0.72 KMT2A (0.48) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL20569799 0.71 SIRT2 (0.47) KMT2AMEN1ALDH1A1KDM4ESIRT2
SCHEMBL17845479 0.70 GRIN1 (0.55) KMT2ARAB9AMEN1ALDH1A1GAA
SCHEMBL551807 0.70 RAB9A (0.43) KMT2ARAB9AMEN1ALDH1A1GAA

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
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed