SCHEMBL8020173

SCHEMBL8020173

CON=C(C#N)c1cccc(N(C)C(=O)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
HSD17B2 P37059 5/20 0.36
HSD17B1 P14061 4/20 0.36
MAPT P10636 5/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 1/20 0.31
PLA2G7 Q13093 1/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 2/20 0.31
NOTUM Q6P988 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
PKM P14618 1/20 0.30
XBP1 P17861 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8023055 0.80 HSD17B2 (0.34) HSD17B2HSD17B1MAPTSMN1; SMN2USP30
SCHEMBL8010261 0.77 HSD17B2 (0.33) HSD17B2HSD17B1MAPTSMN1; SMN2USP30
SCHEMBL8023961 0.76 MTNR1A (0.34) MAPTSMN1; SMN2PLA2G7NPC1ALDH1A1
SCHEMBL8020377 0.75 RAB9A (0.50) MAPTSMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL4935241 0.72 PDK1 (0.44) GRM5MAPTALDH1A1
SCHEMBL24177035 0.72 PLA2G7 (0.33) MAPTPLA2G7NPC1ALDH1A1MAPK1
SCHEMBL8020551 0.69 F2 (0.40) NPC1ALDH1A1RAB9ARECQL
SCHEMBL8020555 0.69 F2 (0.40) NPC1ALDH1A1RAB9ARECQL
SCHEMBL28228308 0.69 ALDH1A1 (0.53) GRM5HSD17B2HSD17B1ALDH1A1
SCHEMBL8848886 0.68 PLA2G7 (0.47) MAPTHTTSMN1; SMN2PLA2G7NPC1

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-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed