SCHEMBL9409104

SCHEMBL9409104

COC(=O)c1cc(Nc2ccc(F)cc2)c(Nc2ccc(F)cc2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.52
CSF1R P07333 1/20 0.47
MAPT P10636 4/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRKD3 O94806 1/20 0.42

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
SCHEMBL8834288 0.92 MAPT (0.51) SIRT2MAPTALOX15ALDH1A1NPC1
SCHEMBL2391240 0.89 MEN1 (0.50) SIRT2CSF1RMAPTALDH1A1MEN1
SCHEMBL9409094 0.87 SIRT2 (0.54) SIRT2MAPTALOX15ALDH1A1NPC1
SCHEMBL9409132 0.85 AKR1C3 (0.55) SIRT2CSF1RMAPTALOX15NPC1
SCHEMBL9409202 0.85 MAPT (0.64) SIRT2MAPTALOX15ALDH1A1
SCHEMBL9409093 0.85 LMNA (0.52) SIRT2CSF1RMAPTALOX15NPC1
SCHEMBL9409210 0.84 SIRT2 (0.58) SIRT2MAPTALOX15ALDH1A1NPC1
SCHEMBL9409188 0.84 SIRT2 (0.51) SIRT2MAPTALOX15ALDH1A1NPC1
SCHEMBL9409084 0.83 SIRT2 (0.73) SIRT2MAPTALOX15ALDH1A1MEN1
SCHEMBL9409105 0.82 SIRT2 (0.49) SIRT2CSF1RMAPTALOX15ALDH1A1

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
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed