SCHEMBL11045779

SCHEMBL11045779

COc1nc(NC(=O)NS(=O)(=O)c2cccc3cccc([N+](=O)[O-])c23)nc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXA2R P21731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL11042813 0.94 KDM4E (0.39) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL11639176 0.89 THRB (0.48) KDM4ENPC1ALDH1A1MAPTKMT2A
SCHEMBL11043195 0.89 GAA (0.54) GAAMAPTKMT2AMEN1CYP2C9
SCHEMBL4815517 0.87 POLB (0.42) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL11045678 0.86 MEN1 (0.41) KDM4EKMT2AMEN1CYP2C9POLB
SCHEMBL11045802 0.85 GAA (0.48) GAAKMT2AMEN1CYP2C9POLB
SCHEMBL11043153 0.85 MEN1 (0.53) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL11635655 0.83 THRB (0.45) KDM4ENPC1ALDH1A1MAPTKMT2A
SCHEMBL11149394 0.83 THRB (0.45) KDM4ENPC1ALDH1A1MAPTKMT2A
SCHEMBL11042144 0.83 ALDH1A1 (0.53) KDM4ENPC1ALDH1A1GAAMAPT

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 5 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 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