SCHEMBL4757760

SCHEMBL4757760

Nc1ncc(Cl)c(N2CCN(CC3CCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL209888 0.87 TRPC5 (0.40) NPC1HTTTRPC5SIGMAR1CYP2C19
SCHEMBL209615 0.82 MAPT (0.45) RPS6KB1HTTCYP2C19MAPTSMN1; SMN2
SCHEMBL209456 0.82 AURKA (0.41) RPS6KB1NPC1HTTTRPC5SIGMAR1
SCHEMBL14495694 0.80 HSP90AA1 (0.42) RPS6KB1CYP2C19MAPTSMN1; SMN2LMNA
SCHEMBL16152481 0.80 MAPK10 (0.39) RPS6KB1HTTSIGMAR1MAPTLMNA
SCHEMBL208875 0.80 RPS6KB1 (0.38) RPS6KB1HTTCYP2C19MAPTSMN1; SMN2
SCHEMBL209669 0.79 MEN1 (0.45) RPS6KB1SIGMAR1CYP2C19CASP1CASP4
SCHEMBL208548 0.78 POLB (0.53) RPS6KB1CASP1CASP4CASP5MAPT
SCHEMBL210676 0.78 AURKA (0.42) RPS6KB1CASP1CASP4CASP5MAPT
SCHEMBL209541 0.77 DRD2 (0.50) CASP1CASP4CASP5MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed