SCHEMBL5795582

SCHEMBL5795582

COC(=O)c1ccc(C=C(CBr)COc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL5797343 0.90 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5798805 0.88 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5810378 0.86 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5808810 0.86 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5797097 0.84 NPC1 (0.46) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5799655 0.81 RAB9A (0.51) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5796789 0.77 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1306405 0.77 ALDH1A1 (0.47) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5824078 0.77 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1306406 0.77 ALDH1A1 (0.47) MAPTRAB9ANPC1SMN1; SMN2LMNA

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed