SCHEMBL6500040

SCHEMBL6500040

O=C(NCCc1ccccc1)c1nc2ccccc2n(CCN2CCOCC2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 5/20 0.60
CASP1 P29466 4/20 0.60
CASP7 P55210 4/20 0.60
HSD17B10 Q99714 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TP53 P04637 3/20 0.60
HPGD P15428 3/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.60
USP2 O75604 2/20 0.60
ALOX15 P16050 2/20 0.60
GAA P10253 2/20 0.60
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 3/20 0.55
GLA P06280 1/20 0.55
ATM Q13315 2/20 0.50

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
SCHEMBL6505956 0.90 PYGM (0.56) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6529612 0.83 CASP1 (0.60) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6503393 0.76 HSD17B10 (0.62) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6497804 0.76 KDM4E (0.64) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6529413 0.76 LMNA (0.58) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL30098131 0.73 ASAH1 (0.55) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL28794833 0.73 ASAH1 (0.55) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6529824 0.73 LMNA (0.62) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL5551592 0.73 LMNA (0.62) KDM4EMAPTALDH1A1CASP1CASP7
SCHEMBL6497801 0.71 HSD17B10 (0.53) KDM4EMAPTALDH1A1CASP1CASP7

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-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed