SCHEMBL10139199

SCHEMBL10139199

COCCNc1ccc([N+](=O)[O-])cc1NO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HCAR3 P49019 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTGER4 P35408 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
KAT2B Q92831 1/20 0.45
RECQL P46063 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
SCHEMBL2716434 0.83 LMNA (0.70) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL6559600 0.83 ALDH1A1 (0.67) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL2729695 0.83 ALDH1A1 (0.63) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL9680671 0.82 ALDH1A1 (0.58) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL10139198 0.82 MAPT (0.62) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL9681150 0.82 LMNA (0.60) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL28288806 0.81 KMT2A (0.71) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL19790196 0.80 KDM4E (0.59) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL3125877 0.80 TSHR (0.55) LMNAHCAR3ALDH1A1HTTKDM4E
SCHEMBL26621578 0.79 HCAR3 (0.56) LMNAHCAR3ALDH1A1HTTKDM4E

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