SCHEMBL10952995

SCHEMBL10952995

CC(=O)Nc1ccc(C)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
GAA P10253 1/20 0.53
KCNMA1 Q12791 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
BDKRB1 P46663 1/20 0.46
NPC1 O15118 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F10 P00742 1/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL19010188 0.87 TP53 (0.60) TP53GAAKMT2ALMNAMAPT
SCHEMBL11822995 0.84 KDM4E (0.63) TP53GAAKCNMA1KMT2ALMNA
SCHEMBL9539984 0.80 CASP1 (0.58) TP53GAALMNAMAPTHTT
SCHEMBL18196076 0.80 LMNA (0.50) TP53KCNMA1KMT2ALMNAMAPT
SCHEMBL6097936 0.79 MAPT (0.49) TP53KCNMA1KMT2ALMNAMAPT
SCHEMBL14099187 0.79 LMNA (0.50) TP53KCNMA1KMT2ALMNAMAPT
SCHEMBL405878 0.79 HDAC1 (0.65) GAAKMT2ALMNAMAPTHTT
SCHEMBL14822784 0.79 KMT2A (0.53) GAAKMT2AMAPTHDAC1HDAC6
SCHEMBL23884641 0.78 CASP1 (0.44) TP53KCNMA1KMT2ALMNAMAPT
SCHEMBL7001348 0.77 KDM4E (0.67) KMT2AMAPTHTTALDH1A1MEN1

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
US-4503073-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-03-05 US disclosed