SCHEMBL30642385

SCHEMBL30642385

O=C(c1ccc([N+](=O)[O-])cc1)c1cnc2c(F)cccn12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SRD5A2 P31213 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31365948 0.83 NPC1 (0.48) NPC1RAB9AGAALMNAMAPT
SCHEMBL30545052 0.82 L3MBTL1 (0.46) L3MBTL1POLBMAPK1NPC1RAB9A
SCHEMBL29114314 0.82 NPC1 (0.45) NPC1RAB9A
SCHEMBL31348009 0.79 NPC1 (0.67) L3MBTL1POLBMAPK1NPC1RAB9A
SCHEMBL30545040 0.74 ADORA2A (0.61) L3MBTL1POLBMAPK1NPC1RAB9A
SCHEMBL29544272 0.73 BAZ2B (0.38) KMT2A
SCHEMBL7936130 0.73 NPC1 (0.46) POLBNPC1RAB9AGAALMNA
SCHEMBL30545053 0.71 RAB9A (0.47) L3MBTL1NPC1RAB9ASRD5A2GAA
SCHEMBL6324751 0.69 SRD5A2 (0.51) L3MBTL1POLBMAPK1SRD5A2GAA
SCHEMBL6220407 0.69 MAPK1 (0.51) L3MBTL1POLBMAPK1SRD5A2GAA

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
CN-117105936-B Imidazo [1,2-a ] pyridine compound serving as FLT3 inhibitor, and preparation method and application thereof 遵义医科大学 2025-01-24 CN disclosed
CN-117105936-A Imidazo [1,2-a ] pyridine compound serving as FLT3 inhibitor, and preparation method and application thereof 遵义医科大学 2023-11-24 CN disclosed