SCHEMBL11064642

SCHEMBL11064642

COc1nc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CCR4 P51679 2/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL10749633 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL10890810 0.86 KMT2A (0.40) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10504586 0.85 MEN1 (0.42) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL11180479 0.84 CA1 (0.47) MEN1KMT2ANPC1ALDH1A1POLB
SCHEMBL11555306 0.83 SMN1; SMN2 (0.65) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10895420 0.82 MEN1 (0.46) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL10750746 0.82 ALDH1A1 (0.38) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL10875959 0.82 MEN1 (0.38) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL11066030 0.81 THRB (0.47) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL15026845 0.81 ALKBH2 (0.38) MEN1KMT2AALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257802-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US claimed
EP-0001514-A2 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-18 EP claimed
EP-0001514-B1 HERBICIDAL SULFONAMIDES, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-08 EP disclosed
US-4443244-A TRIAZINES AND PYRIMIDINES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-17 US disclosed
US-4443244-A TRIAZINES AND PYRIMIDINES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-17 US disclosed
US-4339266-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4339266-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4257802-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
US-4257802-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
EP-0001514-A2 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-18 EP disclosed