SCHEMBL8545224

SCHEMBL8545224

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nn2cccc2C(=O)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.39
CDK1 P06493 1/20 0.38
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8540681 0.88 GAA (0.49) GAAMAPTKMT2ATP53GLA
SCHEMBL8545790 0.88 GAA (0.49) GAAMAPTKMT2ATP53GLA
SCHEMBL8540689 0.86 GAA (0.47) GAAMAPTKMT2ATP53GLA
SCHEMBL8544311 0.85 CDK1 (0.48) GAAMAPTKMT2ATP53GLA
SCHEMBL8829538 0.84 GAA (0.48) GAAMAPTKMT2ATP53GLA
SCHEMBL8829615 0.83 GAA (0.45) GAAMAPTKMT2ATP53GLA
SCHEMBL8545621 0.82 GAA (0.50) GAAMAPTKMT2ATP53GLA
SCHEMBL8546154 0.82 GAA (0.43) GAAMAPTTP53GLACYP1A2
SCHEMBL8546265 0.82 GAA (0.44) GAAMAPTKMT2ATP53GLA
SCHEMBL8542533 0.77 GAA (0.53) GAAMAPTKMT2ATP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
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