SCHEMBL8832103

SCHEMBL8832103

CNc1c(S)ccc(C(=O)OC)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2A P14555 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
TSHR P16473 4/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8831745 0.87 ALDH1A1 (0.39) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8831501 0.86 ALDH1A1 (0.44) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8831610 0.86 PLA2G2A (0.38) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8628652 0.81 KDM4E (0.46) KDM4EPOLBATMALDH1A1GAA
SCHEMBL27128846 0.80 ALDH1A1 (0.40) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8831581 0.79 ALDH1A1 (0.41) KDM4EPOLBATMALDH1A1GAA
SCHEMBL27131243 0.76 KDM4E (0.38) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL7064920 0.74 ALDH1A1 (0.46) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8822604 0.74 ALDH1A1 (0.51) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8627500 0.73 MAPT (0.48) KDM4EPOLBALDH1A1GAAMAPT

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
US-5658854-A Acylated aminophenylsulfonylureas; preparation and use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1997-08-19 US disclosed