SCHEMBL10620301

SCHEMBL10620301

COc1nc(C)nc(N(C)C(=O)[AsH]S(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
FABP4 P15090 5/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29368060 0.82 CA1 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL66383 0.82 CA1 (0.42) MEN1KMT2AF2PRSS1PRSS2
Tribenuron Methyl SCHEMBL2437168 0.78 MEN1 (0.41) MEN1KMT2ACA1CA2MMP1
SCHEMBL7693190 0.76 CA1 (0.43) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL4284694 0.76 F2 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL9354201 0.75 CA12 (0.40) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL28543743 0.75 CYP2C9 (0.36) MEN1KMT2ATSHRSMN1; SMN2ATM
SCHEMBL4291049 0.74 MEN1 (0.38) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL28542885 0.74 CYP2C9 (0.35) MEN1KMT2ATSHRSMN1; SMN2ATM
SCHEMBL21753451 0.74 CA1 (0.44) MEN1KMT2ATSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988002599-A1 HERBICIDAL o-CARBOMETHOXYSULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-21 WO disclosed