SCHEMBL11070561

SCHEMBL11070561

CCc1cnc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.45
CA9 Q16790 7/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
FBP1 P09467 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11069439 0.89 NPC1 (0.46) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11076877 0.86 KDM4E (0.45) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11073912 0.85 CA12 (0.48) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11082145 0.85 CA12 (0.36) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11076516 0.83 CA2 (0.49) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11327732 0.82 CA2 (0.48) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11068028 0.81 CA2 (0.47) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11072085 0.81 CA2 (0.47) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL11077549 0.81 CA2 (0.47) CA12CA9KDM4ENPC1ALDH1A1
Monosulfuron SCHEMBL29350477 0.80 NPSR1 (0.49) KDM4ENPC1ALDH1A1CA2CA1

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-0023140-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP claimed