SCHEMBL31344836

SCHEMBL31344836

Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KCNMA1 Q12791 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PABPC1 P11940 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
EIF4H Q15056 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
WDR5 P61964 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL31603443 0.86 MAPT (0.56) MAPTKMT2AGAAWDR5ALDH1A1
SCHEMBL6260473 0.80 NPC1 (0.70) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL26758054 0.79 KDM4E (0.48) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL11361118 0.77 KCNMA1 (0.72) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL7301422 0.75 HTT (0.73) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL31499394 0.74 NPC1 (0.69) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL24380012 0.74 KCNMA1 (0.81) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL22007919 0.74 KMT2A (0.65) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL31407773 0.74 NPC1 (0.60) MAPTKCNMA1NPC1RAB9AKMT2A
SCHEMBL2131627 0.73 CXCR1 (0.62) MAPTKCNMA1NPC1RAB9AKMT2A

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed