SCHEMBL8829615

SCHEMBL8829615

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nn2cccc2C(=O)C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK1 P06493 1/20 0.37
KMT2A Q03164 1/20 0.35
JAK1 P23458 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.34
IKBKB O14920 1/20 0.33
RIPK2 O43353 1/20 0.33
JAK2 O60674 1/20 0.33
LCK P06239 1/20 0.33
TYK2 P29597 1/20 0.33
SYK P43405 1/20 0.33
GSK3B P49841 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL8540689 0.87 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL8545790 0.87 GAA (0.49) GAAMAPTTP53GLACYP1A2
SCHEMBL8540681 0.87 GAA (0.49) GAAMAPTTP53GLACYP1A2
SCHEMBL8544311 0.84 CDK1 (0.48) GAAMAPTTP53GLACYP1A2
SCHEMBL8829538 0.83 GAA (0.48) GAAMAPTTP53GLACYP1A2
SCHEMBL8545224 0.83 GAA (0.46) GAAMAPTTP53GLACYP1A2
SCHEMBL8545621 0.81 GAA (0.50) GAAMAPTTP53GLACYP1A2
SCHEMBL8546154 0.81 GAA (0.43) GAAMAPTTP53GLACYP1A2
SCHEMBL8546265 0.81 GAA (0.44) GAAMAPTTP53GLACYP1A2
SCHEMBL53468 0.77 GAA (0.47) GAAMAPTTP53GLACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 US disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed