SCHEMBL16623335

SCHEMBL16623335

COc1ccc2nc(-c3ccc(N(C)C(=O)c4ccc(F)c([N+](=O)[O-])c4)cc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
SCD O00767 2/20 0.47
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
SULT1A1 P50225 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL2192766 0.85 SCD (0.56) APPSCDHTTMEN1RAB9A
SCHEMBL16623340 0.78 APP (0.57) APPGLAGAAHSD17B1HSD17B2
SCHEMBL2195686 0.77 SCD (0.54) APPGLAGAASCDHTT
SCHEMBL2000049 0.77 SCD (0.59) APPSCDHTTMEN1RAB9A
SCHEMBL2196123 0.76 SCD (0.57) APPSCDHTTMEN1RAB9A
SCHEMBL3612693 0.75 APP (0.53) APPGLAGAASCDCYP3A4
SCHEMBL28034624 0.75 DYRK1A (0.50) APPSCDRAB9ASULT1A1NPC1
SCHEMBL2193132 0.75 SCD (0.56) APPGAASCDHTTMEN1
SCHEMBL2195831 0.75 SCD (0.56) APPSCDHTTMEN1RAB9A
SCHEMBL1999194 0.75 MAPT (0.64) APPSCDALDH1A1CYP3A4CYP2C9

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
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed