SCHEMBL3469682

SCHEMBL3469682

CCCCC(CC)Cn1cc(-c2nc(Cl)nc(Cl)n2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
GSK3B P49841 6/20 0.35
PRKCB P05771 5/20 0.35
PRKCA P17252 4/20 0.34
PRKCG P05129 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3360975 0.84 KDM4E (0.46) CNR1CNR2KDM4EPOLBCTDSP1
SCHEMBL3469064 0.81 DYRK1A (0.37) DYRK1ACNR1CNR2GSK3BPRKCB
SCHEMBL3468866 0.79 DYRK1A (0.35) DYRK1ACNR1CNR2GSK3BPRKCB
SCHEMBL3361250 0.76 ICMT (0.37) CNR1CNR2KDM4EPOLBCTDSP1
SCHEMBL3361244 0.74 PDE4B (0.41) CNR2KDM4EMAPTTP53ALDH1A1
SCHEMBL3468750 0.72 MTNR1A (0.43) CNR1CNR2KDM4EMAPTTP53
SCHEMBL3360263 0.71 PDE4B (0.35) CNR2GSK3BKDM4EPOLBMAPT
SCHEMBL16888830 0.68 ELANE (0.40) DYRK1ACNR1CNR2GSK3BPRKCB
SCHEMBL3360831 0.67 ALDH1A1 (0.38) CNR1CNR2KDM4EPOLBCTDSP1
SCHEMBL13282870 0.66 CA12 (0.34) CNR2KDM4EMAPTTP53ALDH1A1

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-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed