SCHEMBL31348009

SCHEMBL31348009

O=C(c1ccc([N+](=O)[O-])cc1)c1cnc2ccccn12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
ADORA2A P29274 4/20 0.55
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHB3 P54753 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRD5A2 P31213 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MARK4 Q96L34 3/20 0.43

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
SCHEMBL20377223 0.82 RAB9A (0.76) NPC1RAB9AADORA2APOLBPKM
SCHEMBL1355332 0.82 NPC1 (0.76) NPC1RAB9AADORA2APOLBEPHB3
SCHEMBL31348008 0.81 NPC1 (0.74) NPC1RAB9AADORA2APOLBPKM
SCHEMBL31365954 0.81 NPC1 (0.74) NPC1RAB9AADORA2APOLBEPHB3
SCHEMBL31365952 0.81 RAB9A (1.00) NPC1RAB9AADORA2APOLBL3MBTL1
SCHEMBL31365955 0.81 NPC1 (0.74) NPC1RAB9AADORA2APOLBPKM
SCHEMBL31365958 0.81 NPC1 (0.74) NPC1RAB9AADORA2APOLBPKM
SCHEMBL31348010 0.81 NPC1 (0.74) NPC1RAB9AADORA2APOLBPKM
SCHEMBL30545040 0.80 ADORA2A (0.61) NPC1RAB9AADORA2APOLBMAPK1
SCHEMBL30642385 0.79 L3MBTL1 (0.43) NPC1RAB9APOLBMAPK1L3MBTL1

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-116655626-B Cyclopropanamide compound containing imidazo [ l,2-a ] pyridine skeleton and preparation method and application thereof 遵义医科大学 2025-03-11 CN disclosed
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