SCHEMBL29290491

SCHEMBL29290491

CN(C)c1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
TSHR P16473 1/20 0.48
CYP11B2 P19099 1/20 0.45
NSD3 Q9BZ95 1/20 0.44
PTGS2 P35354 3/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
ACVR1 Q04771 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NOX1 Q9Y5S8 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL27840184 0.85 FAAH (0.52) FAAHPTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL5720398 0.84 FAAH (0.56) FAAHTSHRNSD3PTGS2MAPK13
SCHEMBL27934307 0.81 FAAH (0.46) FAAHACVR1ALDH1A1HTT
SCHEMBL9425691 0.80 FAAH (0.46) FAAHTSHRNOX1
SCHEMBL8485057 0.80 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27639359 0.80 FAAH (0.56) FAAHNSD3PTGS2MAPK13MAPK12
SCHEMBL27595420 0.80 MAPK14 (0.59) FAAHNSD3PTGS2MAPK13MAPK12
SCHEMBL28111191 0.80 FAAH (0.53) FAAHNSD3PTGS2LMNAALDH1A1
SCHEMBL27595419 0.79 FAAH (0.67) FAAHPTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL27820755 0.77 PTGS1 (0.46) FAAHPTGS2MAPK13MAPK12MAPK11

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-105073846-B Diene/dienophile conjugates and with can re-workability compositions of thermosetting resin 汉高知识产权控股有限责任公司 2019-04-16 CN disclosed