SCHEMBL11066030

SCHEMBL11066030

COc1nc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
SLC10A6 Q3KNW5 1/20 0.47
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.44
ALKBH2 Q6NS38 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
FTO Q9C0B1 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 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
SCHEMBL11073908 0.84 SMN1; SMN2 (0.47) THRBCA1CA2MMP1MMP2
SCHEMBL10890810 0.82 KMT2A (0.40) CA1CA2TDP1SMN1; SMN2L3MBTL1
SCHEMBL10749633 0.82 MEN1 (0.40) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL10504586 0.81 MEN1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL11064642 0.81 MEN1 (0.53) CA1CA2LMNASMN1; SMN2POLB
SCHEMBL11153158 0.81 SLC10A6 (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL11639176 0.81 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL11180479 0.81 CA1 (0.47) CA1CA2TDP1POLBL3MBTL1
SCHEMBL10750746 0.79 ALDH1A1 (0.38) L3MBTL1ALDH1A1HPGDKMT2AMEN1
SCHEMBL10875959 0.79 MEN1 (0.38) L3MBTL1ALDH1A1GAAKMT2AMEN1

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