SCHEMBL9080412

SCHEMBL9080412

N[CH]C(=O)Nc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
PKM P14618 4/20 0.63
GAA P10253 1/20 0.59
LMNA P02545 2/20 0.56
DHODH Q02127 1/20 0.55
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
ADORA3 P0DMS8 1/20 0.54
PIM1 P11309 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54
AURKB Q96GD4 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GRM5 P41594 1/20 0.53
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL14562612 0.83 RAB9A (0.66) NPC1RAB9APKMGAALMNA
SCHEMBL1147615 0.81 NPC1 (0.63) NPC1RAB9APKMGAALMNA
SCHEMBL1185009 0.81 NPC1 (0.63) NPC1RAB9APKMGAALMNA
SCHEMBL9586710 0.80 NPC1 (0.56) NPC1RAB9APKMGAALMNA
SCHEMBL9586718 0.80 NPC1 (0.56) NPC1RAB9APKMGAALMNA
SCHEMBL17667006 0.79 DHODH (0.60) NPC1RAB9APKMGAALMNA
SCHEMBL17667009 0.79 DHODH (0.60) NPC1RAB9APKMGAALMNA
SCHEMBL14404856 0.79 DHODH (0.60) NPC1RAB9APKMGAALMNA
SCHEMBL8554529 0.79 RAB9A (0.59) NPC1RAB9APKMGAALMNA
SCHEMBL438214 0.79 RAB9A (0.70) NPC1RAB9APKMGAALMNA

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-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed