SCHEMBL27720607

SCHEMBL27720607

Cc1ncc([N+](=O)[O-])cc1NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 2/20 0.54
MITF O75030 1/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.53
WDR5 P61964 1/20 0.53
HCAR3 P49019 1/20 0.51
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL4727523 0.84 GAA (0.46) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL27699748 0.84 KMT2A (0.54) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL27699809 0.84 KMT2A (0.54) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL11718206 0.82 POLB (0.46) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL2063757 0.81 KMT2A (0.60) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL6396133 0.81 KMT2A (0.85) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL30449796 0.80 POLB (0.56) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL3455657 0.80 POLB (0.56) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL27699805 0.79 MAPT (0.58) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL25232479 0.78 KMT2A (0.47) KMT2APOLBNPC1RAB9AMEN1

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
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed