SCHEMBL9754394

SCHEMBL9754394

O=Cc1c(O)cccc1-c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.57
TMIGD3 P0DMS9 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
DPP4 P27487 1/20 0.41
LTK P29376 1/20 0.41
CDK5 Q00535 1/20 0.41
MST1R Q04912 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
QPCT Q16769 1/20 0.38
HTR2B P41595 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9754595 0.77 ERN1 (0.67) ERN1MAPTMEN1KMT2ATP53
SCHEMBL22603990 0.76 ERN1 (0.51) ERN1TMIGD3ADORA2AADORA1DPP4
SCHEMBL17993572 0.76 ERN1 (0.69) ERN1TMIGD3ADORA2AADORA1DPP4
SCHEMBL1062980 0.75 MAPT (0.56) ERN1TMIGD3ADORA2AADORA1LTK
SCHEMBL12767019 0.73 ERN1 (1.00) ERN1
SCHEMBL13639877 0.73 ERN1 (0.66) ERN1TMIGD3ADORA2AADORA1DPP4
SCHEMBL9033036 0.72 CA12 (0.53) TMIGD3ADORA2AADORA1LTKCDK5
SCHEMBL311198 0.72 ERN1 (0.54) ERN1MAPTMEN1KMT2AL3MBTL1
SCHEMBL18717153 0.71 ERN1 (0.56) ERN1DPP4MAPTMEN1KMT2A
SCHEMBL4368385 0.71 MAPT (0.58) TMIGD3ADORA2AADORA1LTKCDK5

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
CN-1054590-A The benzoic acid herbicides that 6-aryl-2-replaces FMC CORP (US) 1991-09-18 CN disclosed
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed