SCHEMBL29217751

SCHEMBL29217751

COc1ccc2nc(-c3ccc(OC)c(O)c3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
MAPT P10636 2/20 0.72
HPGD P15428 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.72
NPC1 O15118 1/20 0.72
HCRTR1 O43613 1/20 0.72
TP53 P04637 1/20 0.72
MAPK1 P28482 1/20 0.72
BLM P54132 1/20 0.72
KMT2A Q03164 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
HSD17B10 Q99714 1/20 0.72
APP P05067 9/20 0.64
SULT1A1 P50225 1/20 0.64
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
PPARG P37231 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL30884120 1.00 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL796265 0.88 MAPT (0.74) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL30504076 0.84 SMN1; SMN2 (1.00) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2247388 0.84 SMN1; SMN2 (1.00) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4801119 0.83 SULT1A1 (0.84) MAPTSMN1; SMN2TP53APPSULT1A1
SCHEMBL10032139 0.83 APP (0.63) APPSULT1A1GLAGAA
SCHEMBL5429982 0.83 APP (0.83) KDM4ESMN1; SMN2NPC1APPSULT1A1
SCHEMBL1987724 0.82 APP (0.72) APPSULT1A1GLAGAA
SCHEMBL26017584 0.79 APP (0.76) APPSULT1A1GLAGAA
SCHEMBL5421230 0.79 SMN1; SMN2 (0.78) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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
CN-117756742-A Benzothiazole compound or salt thereof, preparation method and application thereof 徐州医科大学 2024-03-26 CN disclosed