SCHEMBL4757112

SCHEMBL4757112

Nc1ncc(Cl)c(N2CCN(Cc3cncc(F)c3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
DRD4 P21917 6/20 0.38
DRD3 P35462 6/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GNRHR P30968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
CDK9 P50750 1/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
RPS6KB1 P23443 1/20 0.35
TLR7 Q9NYK1 3/20 0.35

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
SCHEMBL4757730 0.88 DRD2 (0.38) DRD2DRD4DRD3POLBL3MBTL1
SCHEMBL210676 0.86 AURKA (0.42) DRD2DRD4DRD3POLBL3MBTL1
SCHEMBL208548 0.84 POLB (0.53) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL209669 0.83 MEN1 (0.45) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL209541 0.83 DRD2 (0.50) DRD2DRD4DRD3POLBL3MBTL1
SCHEMBL4754624 0.79 PPARD (0.43) POLBL3MBTL1GNRHRALDH1A1MAPT
SCHEMBL209615 0.78 MAPT (0.45) POLBL3MBTL1ALDH1A1MAPTRPS6KB1
SCHEMBL207138 0.78 NPC1 (0.45) POLBGNRHRALDH1A1MAPTNPBWR1
SCHEMBL210615 0.76 KDM4E (0.44) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL207989 0.76 AURKA (0.53)

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
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed