SCHEMBL9273658

SCHEMBL9273658

O/N=C1\COc2cc(OCc3ccc(F)cc3F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
GSK3B P49841 2/20 0.42
BACE1 P56817 2/20 0.42
GRM5 P41594 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9273661 1.00 MAOB (0.45) MAOBGSK3BBACE1GRM5SMN1; SMN2
SCHEMBL9275512 0.91 MAOB (0.45) MAOBGRM5SMN1; SMN2MEN1NPC1
SCHEMBL9275513 0.91 MAOB (0.45) MAOBGRM5SMN1; SMN2MEN1NPC1
SCHEMBL9217059 0.87 MAOB (0.60) MAOBNPC1RAB9AMAOAALDH1A1
SCHEMBL9217058 0.87 MAOB (0.60) MAOBNPC1RAB9AMAOAALDH1A1
SCHEMBL9278780 0.84 MAOB (0.58) MAOBGRM5SMN1; SMN2MEN1NPC1
SCHEMBL9278781 0.84 MAOB (0.58) MAOBGRM5SMN1; SMN2MEN1NPC1
SCHEMBL9215577 0.82 MAOB (0.60) MAOBGSK3BBACE1GRM5SMN1; SMN2
SCHEMBL8877247 0.81 MAOB (0.44) MAOBGRM5SMN1; SMN2MEN1NPC1
SCHEMBL8877242 0.81 MAOB (0.44) MAOBGRM5SMN1; SMN2MEN1NPC1

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
WO-1995002402-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed