SCHEMBL8539345

SCHEMBL8539345

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccc(C)cc2C(=O)C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
CDK1 P06493 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35

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
SCHEMBL6573975 0.89 GAA (0.54) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL8539307 0.89 GAA (0.44) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL29510603 0.89 GAA (0.47) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL53468 0.89 GAA (0.47) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL6812884 0.88 GAA (0.47) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL8538021 0.88 GAA (0.43) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL7806403 0.84 CDK1 (0.53) GAACDK1ALOX15CYP1A2ALDH1A1
SCHEMBL9316190 0.80 GAA (0.48) GAACDK1ALOX15CYP1A2ALDH1A1
Ethoxysulfuron SCHEMBL6447158 0.78 MRGPRX1 (0.41) GAAMAPTTP53MEN1KMT2A
SCHEMBL7801293 0.77 PTK2 (0.48) GAAALDH1A1MAPTTP53GLA

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
EP-0679646-B1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID CO (US) 1998-07-29 EP disclosed
EP-0679646-A1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1995-11-02 EP disclosed