SCHEMBL4773953

SCHEMBL4773953

Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C.Cc1nc(Cl)c([N+](=O)[O-])c(NCCO)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 7/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HIF1A Q16665 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4776141 0.95 POLB (0.43) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL3172845 0.87 POLB (0.42) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4773797 0.86 POLB (0.41) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4771569 0.85 POLB (0.40) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4769171 0.85 POLB (0.40) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL13527456 0.84 POLB (0.42) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4772531 0.82 POLB (0.41) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL843365 0.80 TSHR (0.42) POLBALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL4777754 0.79 MAPT (0.43) POLBALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4773504 0.79 MAPT (0.45) POLBALDH1A1SMN1; SMN2GAATDP1

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