SCHEMBL3469064

SCHEMBL3469064

CCCCC(CC)Cn1cc(-c2nc(-c3ccc(O)c(C)c3O)nc(-c3ccc(O)c(C)c3O)n2)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
CNR1 P21554 9/20 0.34
CNR2 P34972 9/20 0.34
PRKCB P05771 4/20 0.34
GSK3B P49841 4/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CES2 O00748 1/20 0.33
PRKCA P17252 2/20 0.31
TYK2 P29597 1/20 0.31
COMT P21964 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3468866 0.89 DYRK1A (0.35) DYRK1ACNR1CNR2PRKCBGSK3B
SCHEMBL3363585 0.86 CA12 (0.34) CNR2KDM4EMEN1ALDH1A1GAA
SCHEMBL3469682 0.81 DYRK1A (0.41) DYRK1ACNR1CNR2PRKCBGSK3B
SCHEMBL13282870 0.79 CA12 (0.34) CNR2KDM4EMEN1ALDH1A1GAA
SCHEMBL3360208 0.79 ICMT (0.35) CNR1CNR2GAATSHRPPARG
SCHEMBL3469030 0.79 TYR (0.32) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL3362115 0.78 PDE4B (0.36) CNR2KDM4EALDH1A1HPGDTSHR
SCHEMBL3361773 0.76 CA2 (0.33) CNR2MEN1ALDH1A1KMT2A
SCHEMBL3360889 0.75 MGLL (0.33) CNR1CNR2GSK3BKDM4EALDH1A1
SCHEMBL3360359 0.75 KDM4E (0.34) CNR1CNR2KDM4EMEN1ALDH1A1

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