SCHEMBL29908360

SCHEMBL29908360

O=C(NCc1cccc(F)c1)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 7/20 0.62
LMNA P02545 1/20 0.50
NAMPT P43490 2/20 0.48
PTPN1 P18031 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 2/20 0.46
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 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
SCHEMBL18529295 0.77 ATG4B (1.00) ATG4B
SCHEMBL29908348 0.77 RAB9A (0.69) ATG4BLMNAROCK2ROCK1GAA
SCHEMBL6799629 0.72 MAPT (0.56) LMNAMAPK1KMT2ANPC1MAPT
SCHEMBL8778065 0.71 LMNA (0.52) ATG4BLMNAMAPK1KMT2ANPC1
SCHEMBL14434568 0.71 LMNA (0.73) LMNANAMPTROCK2EPHX2KMT2A
SCHEMBL3656623 0.71 ROCK2 (0.62) ATG4BLMNANAMPTROCK2ROCK1
SCHEMBL29128699 0.71 MEN1 (0.50) LMNAMAPK1KMT2ANPC1MAPT
SCHEMBL5795303 0.70 MGMT (0.57) KMT2ANPC1MAPTRAB9A
SCHEMBL29128667 0.70 LMNA (0.50) LMNAMAPK1KMT2ANPC1MAPT
SCHEMBL9687003 0.70 LMNA (0.54) LMNAMAPK1KMT2ANPC1MAPT

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-2022188203-A1 IMIDAZOPYRIDINE DERIVATIVE 北京富龙康泰生物技术有限公司 2022-09-15 WO disclosed