SCHEMBL9704330

SCHEMBL9704330

CCn1c(=O)c(C(=O)O)nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CFTR P13569 1/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GALR2 O43603 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9703943 0.82 CYP1A2 (0.52) MAPK1CASP1CASP7MAPTLMNA
SCHEMBL9704918 0.79 MAPK1 (0.50) MAPK1CASP1CASP7MAPTKDM4E
SCHEMBL9703578 0.78 MAPK1 (0.49) MAPK1CASP1CASP7MAPTLMNA
SCHEMBL9705722 0.78 MAPK1 (0.49) MAPK1CASP1CASP7MAPTLMNA
SCHEMBL9703964 0.77 MAPK1 (0.58) MAPK1CASP1CASP7MAPTLMNA
SCHEMBL6607610 0.74 MAPT (0.47) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6606816 0.74 NLRP3 (0.59) MAPK1CASP1CASP7MAPTLMNA
SCHEMBL6970745 0.68 PGK1 (0.50) LMNAKDM4EHTTGAAALDH1A1
SCHEMBL6969528 0.68 PGK1 (0.50) LMNAKDM4EHTTGAAALDH1A1
SCHEMBL909516 0.67 ALDH1A1 (0.66) MAPTLMNAKDM4EHTTGAA

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-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed