SCHEMBL11040368

SCHEMBL11040368

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cccc3cccc(Cl)c23)n1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.40
CCR4 P51679 3/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL11042144 0.94 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1MAPTCCR4
SCHEMBL11043929 0.90 KDM4E (0.48) ALDH1A1KDM4ENPC1MAPTCCR4
Chlorsulfuron SCHEMBL11325389 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCCR4
Chlorsulfuron SCHEMBL54874 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCCR4
Chlorsulfuron SCHEMBL7902297 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCCR4
Chlorsulfuron SCHEMBL29636275 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTCCR4
Chlorsulfuron SCHEMBL28654480 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1MAPTCCR4
SCHEMBL11637514 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTCCR4
SCHEMBL11042813 0.84 KDM4E (0.39) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL11043336 0.84 GAA (0.56) ALDH1A1KDM4ENPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US claimed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US disclosed
EP-0030141-B1 HERBICIDAL UREAS AND ISOUREAS, PREPARATION, COMPOSITIONS AND USE THEREOF, INTERMEDIATES THEREFOR AND PREPARATION OF SAID INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-20 EP disclosed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed