SCHEMBL8832101

SCHEMBL8832101

CNc1cccc(C(=O)OC)c1SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 4/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
MEN1 O00255 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
SCHEMBL8831739 0.85 L3MBTL1 (0.53) KDM4EPOLBATML3MBTL1PKM
SCHEMBL8822600 0.84 L3MBTL1 (0.58) KDM4EPOLBL3MBTL1PKMALDH1A1
SCHEMBL8831608 0.84 L3MBTL1 (0.55) KDM4EPOLBATML3MBTL1PKM
SCHEMBL543449 0.83 L3MBTL1 (0.56) KDM4EPOLBL3MBTL1PKMALDH1A1
SCHEMBL9523762 0.81 L3MBTL1 (0.51) KDM4EPOLBATML3MBTL1PKM
SCHEMBL9522884 0.80 L3MBTL1 (0.53) KDM4EPOLBL3MBTL1PKMALDH1A1
SCHEMBL543367 0.79 ALDH1A1 (0.54) KDM4EPOLBL3MBTL1PKMALDH1A1
SCHEMBL9524381 0.79 L3MBTL1 (0.52) KDM4EPOLBATML3MBTL1PKM
SCHEMBL9524388 0.79 L3MBTL1 (0.52) KDM4EPOLBL3MBTL1PKMALDH1A1
SCHEMBL8628655 0.78 POLB (0.65) KDM4EPOLBL3MBTL1PKMALDH1A1

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-1051305-C Acylated aminophenyl urea compounds, their preparation and their use as herbicides and plant-growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2000-04-12 CN disclosed
US-5658854-A Acylated aminophenylsulfonylureas; preparation and use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1997-08-19 US disclosed