SCHEMBL29908348

SCHEMBL29908348

O=C(NCCc1ccccc1)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
NPC1 O15118 5/20 0.69
MAPT P10636 3/20 0.69
ATG4B Q9Y4P1 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.53
MAPK1 P28482 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
PPIF P30405 1/20 0.47
PPIA P62937 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL9392247 0.82 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2CA1
SCHEMBL15306489 0.81 RAB9A (0.76) RAB9ANPC1MAPTATG4BSMN1; SMN2
SCHEMBL8778065 0.80 LMNA (0.52) RAB9ANPC1MAPTATG4BSMN1; SMN2
SCHEMBL7161060 0.79 MAPT (0.59) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL7161066 0.79 MAPT (0.59) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL29908360 0.77 ATG4B (0.62) RAB9ANPC1MAPTATG4BMAPK1
SCHEMBL29128667 0.76 LMNA (0.50) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL5797626 0.75 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL18529285 0.75 ATG4B (1.00) RAB9ANPC1MAPTATG4BSMN1; SMN2
SCHEMBL29128699 0.74 MEN1 (0.50) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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