SCHEMBL28874979

SCHEMBL28874979

[CH2]c1ccccc1-n1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
NSD3 Q9BZ95 1/20 0.44
PTGS2 P35354 4/20 0.43
FAAH O00519 4/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
FRK P42685 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38

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
SCHEMBL2179670 0.81 ALDH1A1 (0.49) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL5720398 0.77 FAAH (0.56) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL28845537 0.76 ALDH1A1 (0.49) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL27316054 0.74 PKM (0.50) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL27987826 0.74 HCAR1 (0.50) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL6329705 0.73 FAAH (0.53) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL8869907 0.70 HTT (0.56)
SCHEMBL21135009 0.70 AKT1 (0.43) MAPK13MAPK12MAPK11MAPK14NSD3
SCHEMBL5574792 0.70 NSD3 (0.55) NSD3PTGS2FAAHTSHRLMNA
SCHEMBL28111191 0.70 FAAH (0.53) NSD3PTGS2FAAHLMNA

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
CN-110023374-A New high molecular weight polymers from waste feedstocks 雷普索尔有限公司 2019-07-16 CN disclosed