SCHEMBL2544239

SCHEMBL2544239

Cc1ccc2nc(NCC(N)=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
FBP1 P09467 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
MDM2 Q00987 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL10364255 0.83 KDM4E (0.54) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL10958443 0.80 KDM4E (0.46) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL4686905 0.80 NPC1 (0.51) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL8034874 0.79 MAPT (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2544240 0.78 MAPT (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL15450923 0.77 PIK3CA (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2134640 0.76 MAPT (0.54) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL22468097 0.75 MAPT (0.47) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL11258897 0.74 AGPAT2 (0.58) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL24095302 0.71 ESR1 (0.42) POLBPIK3CA

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
US-8044078-B2 Amino-alkyl amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2011-10-25 US disclosed