SCHEMBL16623340

SCHEMBL16623340

COc1ccc2nc(-c3ccc(N(C)C(=O)c4cccc(C(F)(F)F)c4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SULT1A1 P50225 1/20 0.46
MAPT P10636 1/20 0.46
CSNK1D P48730 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL2192465 0.84 PLG (0.61) APPGAAMAPTCSNK1D
SCHEMBL16623335 0.78 APP (0.54) APPGLAGAAHSD17B1HSD17B2
SCHEMBL2196579 0.76 APP (0.59) APPMAPTCSNK1D
SCHEMBL12509545 0.76 APP (0.58) APPGLAGAASULT1A1MAPT
SCHEMBL10032141 0.74 APP (1.00) APPGLAGAASULT1A1
SCHEMBL2119782 0.74 APP (1.00) APPGLAGAASULT1A1
SCHEMBL2195119 0.74 MAPT (0.75) APPGLAGAAMAPT
SCHEMBL2194534 0.73 APP (0.59) APPGLAGAAMAPTCSNK1D
SCHEMBL2192191 0.72 APP (0.72) APPGLAGAAMAPT
SCHEMBL13853554 0.72 APP (0.95) APPGLAGAASULT1A1

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