SCHEMBL9640825

SCHEMBL9640825

CC(=O)Nc1ccc(Cl)cc1C(=O)C[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
PDE7A Q13946 1/20 0.46
KCNMA1 Q12791 4/20 0.45
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
GMNN O75496 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9639607 0.90 KDM4E (0.49) KDM4EHSD17B10PDE7AERCC5FEN1
SCHEMBL9641124 0.86 KMT2A (0.43) KDM4EHSD17B10KCNMA1SMN1; SMN2ALDH1A1
SCHEMBL9640865 0.82 OR51E2 (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL9639889 0.81 CYP1A2 (0.48) KDM4EHSD17B10KCNMA1ALDH1A1MAPT
SCHEMBL8752479 0.81 CYP2C19 (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL8211833 0.79 KMT2A (0.49) KDM4EHSD17B10KCNMA1ALDH1A1MAPT
SCHEMBL7085464 0.79 CYP2C19 (0.41) KDM4EPDE7AERCC5FEN1SMN1; SMN2
SCHEMBL7091629 0.78 CYP2C19 (0.38) KDM4EHSD17B10PDE7AKCNMA1SMN1; SMN2
SCHEMBL7084865 0.78 GAA (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL9469411 0.78 KDM4E (0.77) KDM4EHSD17B10KCNMA1SMN1; SMN2ALDH1A1

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
EP-0339411-B1 PROCESS FOR THE PREPARATION OF QUINOXALONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
EP-0339411-A1 Process for the preparation of quinoxalones HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-02 EP disclosed