SCHEMBL10691036

SCHEMBL10691036

CC(C)(C)c1c(S(N)(=O)=O)ccnc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.38
CA1 P00915 11/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA9 Q16790 12/20 0.36
CA12 O43570 11/20 0.36
CA14 Q9ULX7 8/20 0.36
MAPK1 P28482 1/20 0.35
FTO Q9C0B1 1/20 0.33
DAO P14920 1/20 0.33
CYP2C9 P11712 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL10690230 0.75 HPGD (0.40) CA2CA1CA4CA6CA9
SCHEMBL9103785 0.72 CA2 (0.57) CA2CA1CA4CA6CA9
SCHEMBL31028698 0.69 CA2 (0.56) CA2CA1CA4CA6CA9
SCHEMBL3666996 0.69 CA2 (0.56) CA2CA1CA4CA6CA9
SCHEMBL31319999 0.69
SCHEMBL10414792 0.69 CA2 (0.36) CA2CA1CA9CA12CA14
SCHEMBL25304153 0.67 CA2 (0.41) CA2CA1CA6CA9CA12
SCHEMBL28969394 0.67 PTGDR2 (0.33)
SCHEMBL15549262 0.67 FTO (0.36) CA2CA1CA4CA6CA9
SCHEMBL24533825 0.66 PRKCI (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4784684-A Herbicidal pyridinesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-15 US disclosed
US-4668279-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-26 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 EP disclosed