SCHEMBL27699809

SCHEMBL27699809

O=C(Nc1cc([N+](=O)[O-])cnc1Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 4/20 0.54
POLB P06746 2/20 0.54
MITF O75030 1/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 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
HDAC2 Q92769 1/20 0.51
PDPK1 O15530 1/20 0.51
CYTH3 O43739 1/20 0.51
AKT1 P31749 1/20 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
SCHEMBL27720607 0.84 KMT2A (0.58) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL27699748 0.84 KMT2A (0.54) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL19150684 0.83 NPC1 (0.44) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL19150685 0.83 NPC1 (0.44) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL19149722 0.82 KCNQ3 (0.54) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL402139 0.81 MAPT (0.77) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL27699783 0.79 HDAC1 (0.51) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL2063757 0.79 KMT2A (0.60) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL3529391 0.78 KMT2A (0.62) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL4067681 0.78 LMNA (0.49) KMT2ARAB9AMEN1NPC1POLB

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