SCHEMBL10690230

SCHEMBL10690230

CC(C)(C)c1nccc(S(N)(=O)=O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
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 14/20 0.36
CA12 O43570 13/20 0.36
CA14 Q9ULX7 8/20 0.36
MAPK1 P28482 1/20 0.35
FTO Q9C0B1 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CA7 P43166 2/20 0.31
CYP2C9 P11712 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL10414792 0.80 CA2 (0.36) CA2CA1CA9CA12CA14
SCHEMBL15549262 0.77 FTO (0.36) CA2CA1CA4CA6CA9
SCHEMBL10691036 0.75 CA2 (0.38) CA2CA1CA4CA6CA9
SCHEMBL858994 0.74 CA1 (0.53) HPGDCA2CA1CA4CA6
SCHEMBL21719115 0.71 HPGD (0.41) HPGD
SCHEMBL9984543 0.69 HPGD (0.40) HPGD
SCHEMBL21718452 0.69 HPGD (0.40) HPGD
SCHEMBL15415463 0.69 CCR1 (0.41) HPGDALDH1A1LMNA
SCHEMBL2812310 0.68 NPC1 (0.40) HPGDCA2CA1CA4CA6
SCHEMBL25304153 0.67 CA2 (0.41) CA2CA1CA6CA9CA12

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