SCHEMBL11042885

SCHEMBL11042885

O=C=NS(=O)(=O)c1cccc2cccc([N+](=O)[O-])c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
ALDH1A1 P00352 2/20 0.41
TYMS P04818 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
NFKBIA P25963 2/20 0.38
RELA Q04206 2/20 0.38
MDM4 O15151 1/20 0.38
OPRK1 P41145 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
SCHEMBL5657559 0.84 F2 (0.59) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL22531716 0.79 KMT2A (0.52) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL29549101 0.79 KMT2A (0.52) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL29549435 0.78 KMT2A (0.50) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9331092 0.78 KMT2A (0.50) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL6253627 0.78 KMT2A (0.50) KMT2AMEN1F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL27600561 0.76 KMT2A (0.49) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL22532073 0.75 F2 (0.49) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL11042682 0.74 MAPT (0.51) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL187697 0.74 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1TYMSTDP1

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