SCHEMBL10558458

SCHEMBL10558458

CC(Nc1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
CYP19A1 P11511 1/20 0.56
VDR P11473 1/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 5/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 2/20 0.47
FFAR2 O15552 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
CYP3A5 P20815 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.43
KCNH3 Q9ULD8 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL31285576 0.85 KDM4E (1.00) KDM4EALDH1A1CYP3A4CYP2C19GAA
SCHEMBL8877012 0.85 KDM4E (1.00) KDM4EALDH1A1CYP3A4CYP2C19GAA
SCHEMBL6000027 0.84 KDM4E (0.73) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL8038878 0.80 GAA (0.68) KDM4ECYP19A1VDRALDH1A1CYP3A4
SCHEMBL10557581 0.79 CFTR (0.66) KDM4ECYP19A1VDRCYP3A4CYP2C19
SCHEMBL2931121 0.79 ALDH1A1 (0.62) KDM4EALDH1A1CYP3A4CYP2C19GAA
SCHEMBL11205766 0.79 ALDH1A1 (0.62) KDM4EALDH1A1CYP3A4CYP2C19GAA
SCHEMBL10389939 0.79 ALDH1A1 (0.62) KDM4EALDH1A1CYP3A4CYP2C19GAA
SCHEMBL19323939 0.76 KDM4E (0.61) KDM4ECYP3A4CYP2C19GAAMAPK1
Hydrochloric Acid SCHEMBL11568531 0.76 KDM4E (0.50) KDM4ECYP19A1VDRCYP3A4MEN1

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
US-4874775-A INHIBIT PHYTOPATHOGENS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
EP-0206581-A2 Agriculturally-useful sulfonamides ELI LILLY AND COMPANY (US) 1986-12-30 EP disclosed
CN-86103621-A The method of the sulphonamide of preparation agriculturally useful 1986-12-10 CN disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed