SCHEMBL3934890

SCHEMBL3934890

FC(F)COCOc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
MAN2A1 Q16706 1/20 0.46
MAN1B1 Q9UKM7 1/20 0.46
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SOD1 P00441 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16031895 0.86 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL6467512 0.81 MAOB (0.53) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL873385 0.79 MAOB (0.51) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL22491482 0.78 MAOB (0.50) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL4653072 0.77 MAOB (0.53) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL2794321 0.76 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL18587804 0.73 MAOB (0.49) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL943678 0.73 MAOB (0.56) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL30788655 0.73 MAOB (0.56) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL873981 0.72 MAOB (0.51) MAOBRAB9AHTTL3MBTL1SOD1

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-2009005460-A1 SMALL MOLECULE INHIBITORS OF NAVL.7 SODIUM CHANNELS FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-01-08 WO disclosed