SCHEMBL9055616

SCHEMBL9055616

CNC(=O)N(c1nc(C)nc(OC)n1)S(=O)(=O)c1c(C)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
ACLY P53396 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9247098 0.88 ALDH1A1 (0.34) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL4291049 0.85 MEN1 (0.38) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL5458880 0.81 CA1 (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1526468 0.80 ACLY (0.33) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL4284694 0.72 F2 (0.42) KDM4EMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL28553704 0.71
SCHEMBL694106 0.71 GAA (0.41) ALDH1A1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL7693190 0.70 CA1 (0.43) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL66383 0.69 CA1 (0.42) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL29368060 0.69 CA1 (0.42) MEN1KMT2ASMN1; SMN2MMP1MMP9

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
EP-0619946-B1 Herbicidal composition for upland farming and weeding method NIHON NOHYAKU CO LTD (JP) 1996-06-05 EP claimed