SCHEMBL4775144

SCHEMBL4775144

Cc1nc(Cl)c([N+](=O)[O-])c(C(N)COCc2ccncc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 2/20 0.41
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
PIN1 Q13526 1/20 0.30
AKT1 P31749 2/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
PRKX P51817 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKG2 Q13237 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL4773502 0.76 MGMT (0.38) MGMTSMN1; SMN2MAPTPOLBPIN1
SCHEMBL4776209 0.67 LMNA (0.41) MGMTSMN1; SMN2MAPTPIN1DCTPP1
SCHEMBL5034510 0.67 POLB (0.36) POLB
SCHEMBL13939169 0.63 POLB (0.41) SMN1; SMN2MAPTPOLB
SCHEMBL19378183 0.63 MAPT (0.36) MGMTNPC1SMN1; SMN2MAPTPOLB
Hydrochloric Acid SCHEMBL8119660 0.62 MAPT (0.36) MAPTPOLB
SCHEMBL843365 0.62 TSHR (0.42) SMN1; SMN2MAPTPOLBDCTPP1
SCHEMBL2574294 0.61 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPOLB
SCHEMBL7953310 0.60 POLB (0.41) SMN1; SMN2MAPTPOLB
SCHEMBL2608862 0.60 CYP19A1 (0.42) NPC1MAPTPOLBAKT1ROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed