SCHEMBL10139260

SCHEMBL10139260

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ GRIA2 P42262 1/20 0.46
▸ GRIA3 P42263 1/20 0.46
▸ GRIA4 P48058 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL10139723 0.87 KMT2A (0.47) SIRT2SIRT1KMT2AMEN1RAB9A
SCHEMBL20569799 0.84 SIRT2 (0.47) SIRT2SIRT1KMT2AMEN1GRIA1
SCHEMBL30349795 0.82 CYP1A2 (0.60) SIRT2SIRT1KMT2AMEN1SMN1; SMN2
SCHEMBL9725457 0.82 SIRT2 (0.51) SIRT2SIRT1KMT2AMEN1GRIA1
Hydrochloric Acid SCHEMBL9725396 0.81 SIRT2 (0.53) SIRT2SIRT1KMT2AMEN1RAB9A
SCHEMBL28414336 0.80 SIRT2 (0.49) SIRT2SIRT1KMT2AMEN1SMN1; SMN2
SCHEMBL10169863 0.80 KMT2A (0.55) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL29203245 0.80 SIRT2 (0.48) SIRT2SIRT1KMT2AMEN1GRIA1
SCHEMBL29203248 0.80 SIRT2 (0.48) SIRT2SIRT1KMT2AMEN1GRIA1
SCHEMBL30881349 0.80 SIRT2 (0.48) SIRT2SIRT1KMT2AMEN1GRIA1

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
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