SCHEMBL7854098

SCHEMBL7854098

CC(=O)Nc1cc(OCc2ccc(Cl)nc2)ccc1-c1c(C(F)(F)F)n(C)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
DRD1 P21728 1/20 0.38
MAOB P27338 5/20 0.36
TERT O14746 6/20 0.36
CHRM5 P08912 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAOA P21397 1/20 0.34
GRM2 Q14416 1/20 0.34
CSF1R P07333 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL7843357 0.90 MAOB (0.47) DRD1MAOBMAOA
SCHEMBL7851641 0.82 MAOB (0.38) NPC1ALDH1A1RAB9AMAOBTERT
SCHEMBL7850608 0.72 PTGES (0.35) NPC1ALDH1A1RAB9AMAOBTERT
SCHEMBL7849461 0.71 MAOB (0.48) MAOBMAOA
SCHEMBL8087595 0.71 MAOB (0.45) DRD1MAOBHDAC1HDAC6HDAC5
SCHEMBL8131549 0.65 HDAC1 (0.47) NPC1ALDH1A1RAB9AMAOBTERT
SCHEMBL24933815 0.65 NPC1 (0.43) NPC1ALDH1A1RAB9AMAOBTERT
SCHEMBL30240772 0.65 NPC1 (0.43) NPC1ALDH1A1RAB9AMAOBTERT
SCHEMBL8489930 0.65 MAOB (0.48) NPC1RAB9AMAOBMAOA
SCHEMBL8137593 0.64 CHRM5 (0.41) NPC1ALDH1A1RAB9AMAOBTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066267-A1 SUBSTITUTED PHENYL URACILS Bayer Aktiengesellschaft (DE) 2001-01-10 EP disclosed
WO-1999028302-A1 SUBSTITUTED PHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1999-06-10 WO disclosed