SCHEMBL8540624

SCHEMBL8540624

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK1 P06493 1/20 0.32

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 0.87 CYP1A2 (0.41) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL8540620 0.84 CYP1A2 (0.43) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL10847815 0.79 SMN1; SMN2 (0.48) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL7800046 0.73 GAA (0.61) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL30412360 0.72 SMN1; SMN2 (0.45) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL10850082 0.68 CYP1A2 (0.40) ALDH1A1CYP1A2SMN1; SMN2GAATSHR
SCHEMBL1535819 0.68 SMN1; SMN2 (0.41) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL10855589 0.66 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL10847825 0.66 GAA (0.53) ALDH1A1CYP1A2SMN1; SMN2LMNAGAA
SCHEMBL10827038 0.64 KDM4E (0.48) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA

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