SCHEMBL11286256

SCHEMBL11286256

Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)nc2c1CCCO2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CA12 O43570 6/20 0.36
CA9 Q16790 6/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL11155674 0.94 CA2 (0.39) BRD4CA2CA1MMP1MMP2
SCHEMBL11281334 0.88 EDNRB (0.37) BRD4CA2CA1MMP1MMP2
SCHEMBL11155912 0.85 NPC1 (0.41) BRD4CA2CA1CA9MAPT
SCHEMBL11155786 0.84 POLB (0.42) BRD4CA2CA1MMP1MMP2
SCHEMBL11286338 0.84 CDK1 (0.42) CA2CA1CA12CA9MAPT
SCHEMBL11281725 0.82 CA1 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL11282581 0.82 EDNRB (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL11156238 0.81 KDM4E (0.49) CA2CA1CA12CA9MAPT
SCHEMBL11076516 0.80 CA2 (0.49) BRD4CA2CA1MMP1MMP2
SCHEMBL11155712 0.80 KCNJ6 (0.36) CA2CA1CA12CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed