SCHEMBL1706741

SCHEMBL1706741

NN(C(=O)O)c1ccc(C#CC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 2/20 0.47
HAO1 Q9UJM8 6/20 0.42
PTGES O14684 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL3768385 0.78 FFAR1 (0.42) FFAR1FFAR4HAO1PTGES
SCHEMBL11512104 0.75 NPSR1 (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL927052 0.75 FFAR1 (0.58) FFAR1FFAR4HAO1EGLN1
SCHEMBL27316970 0.74 FFAR1 (0.53) FFAR1FFAR4HAO1KMT2A
SCHEMBL2465152 0.71 GABRA1 (0.35) FFAR1KDM4EMEN1MAPTRAB9A
SCHEMBL2469689 0.71 CA12 (0.41) FFAR1HAO1
SCHEMBL4607981 0.70 APP (0.56) FFAR1FFAR4HAO1TBK1MEN1
SCHEMBL18626138 0.69 APP (0.52) FFAR1FFAR4HAO1PTGESKDM4E
SCHEMBL2565461 0.69 APP (0.52) FFAR1FFAR4HAO1PTGESKDM4E
SCHEMBL4498928 0.69 FFAR1 (0.60) FFAR1FFAR4HAO1KMT2A

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-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed