SCHEMBL14495802

SCHEMBL14495802

Bc1cnc(N)c([N+](=O)[O-])c1N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.45
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 2/20 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
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
DHFR P00374 1/20 0.35
RPS6KB1 P23443 1/20 0.34
TLR7 Q9NYK1 3/20 0.34
RET P07949 1/20 0.34
POLB P06746 1/20 0.34
MGLL Q99685 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL208484 0.88 PPARD (0.43) PPARDPPARAL3MBTL1ALDH1A1MAPT
SCHEMBL4754624 0.88 PPARD (0.43) PPARDPPARAL3MBTL1ALDH1A1MAPT
SCHEMBL209669 0.74 MEN1 (0.45) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL210615 0.73 KDM4E (0.44) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL207969 0.72 AURKA (0.46) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL209309 0.72 TRPV6 (0.41) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL208548 0.71 POLB (0.53) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL2731281 0.71 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL208834 0.71 OPRM1 (0.48) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL209448 0.70 POLB (0.52) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1

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-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed