SCHEMBL8540620

SCHEMBL8540620

COc1cc(OC)nc(N(C(=O)NS(=O)(=O)Cl)S(=O)(=O)Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.36
CDK1 P06493 1/20 0.34
KMT2A Q03164 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
AKT1 P31749 1/20 0.33
HTT P42858 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
SCHEMBL10854170 0.85 CYP1A2 (0.41) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL8540624 0.84 ALDH1A1 (0.42) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL30412360 0.79 SMN1; SMN2 (0.45) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL10847815 0.78 SMN1; SMN2 (0.48) CYP1A2SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1535819 0.75 SMN1; SMN2 (0.41) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL7800046 0.75 GAA (0.61) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL11035802 0.73 SMN1; SMN2 (0.46) CYP1A2SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL10847825 0.68 GAA (0.53) CYP1A2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL10850082 0.67 CYP1A2 (0.40) CYP1A2GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL11062413 0.65 GAA (0.50) CYP1A2GAAALDH1A1KDM4EMAPT

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