SCHEMBL16201493

SCHEMBL16201493

CC(=O)COc1ccc(-c2cncn2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.45
DYRK1A Q13627 11/20 0.45
WNT1 P04628 6/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
HPGDS O60760 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
LDLR P01130 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL16197797 0.79 PORCN (0.68) MEN1LMNATP53MAPTKMT2A
SCHEMBL24465876 0.76 MAPT (0.51) GSK3BDYRK1AICAM1SELEHPGDS
SCHEMBL21978557 0.75 HPGDS (0.52) HPGDSLDLRPCSK9MEN1LMNA
SCHEMBL2955123 0.75 HPGD (0.50) MAPTSMN1; SMN2
SCHEMBL5344758 0.73 HPGDS (0.53) GSK3BDYRK1AWNT1MMP2MMP13
SCHEMBL5779858 0.73 SMN1; SMN2 (0.55) GSK3BDYRK1AWNT1IDO1MEN1
SCHEMBL10985317 0.72 IDO1 (0.53) GSK3BDYRK1AWNT1MMP2MMP13
SCHEMBL19981228 0.72 ATP1A1 (0.45) GSK3BDYRK1AHPGDSLDLRPCSK9
SCHEMBL7733929 0.71 MAPT (0.66) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL9827591 0.70 AOC3 (0.42) LMNAMAPTKMT2ASMN1; SMN2

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-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed