SCHEMBL9333371

SCHEMBL9333371

CC1=C(C)C(=O)C(Nc2ccccc2)=CC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 4/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 3/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
IDO1 P14902 4/20 0.60
BLM P54132 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CASP3 P42574 3/20 0.56
SENP8 Q96LD8 3/20 0.56
SENP7 Q9BQF6 3/20 0.56
SENP6 Q9GZR1 3/20 0.56

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
SCHEMBL755665 0.78 MAPT (0.64) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL5161058 0.78 MAPT (0.64) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL754259 0.76 MAPT (1.00) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL29633257 0.76 MAPT (1.00) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL17817052 0.76 MAPT (0.53) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL7264088 0.75 MEN1 (0.44) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8367064 0.75 CDK4 (0.62) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL28408126 0.74 MAPT (0.96) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL9334488 0.74 MEN1 (0.61) MAPTSMN1; SMN2RAB9ALMNAHTT
SCHEMBL31312582 0.74 POLB (0.45) MAPTSMN1; SMN2RAB9ALMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3220163-A None JP disclosed
EP-0443710-B1 Benzoquinone antiallergy and antiinflammatory agents PFIZER (US) 1994-05-11 EP disclosed
US-5104874-A Cyclooxygenase and lipoxygenase inhibitob PFIZER INC. (US) 1992-04-14 US disclosed
JP-H03220163-A NEW BENZOQUINONE COMPOUND AND ITS COMPOSITION PFIZER PHARMACEUT CO LTD 1991-09-27 JP disclosed
EP-0443710-A1 Benzoquinone antiallergy and antiinflammatory agents PFIZER INC. (US) 1991-08-28 EP disclosed