SCHEMBL10368170

SCHEMBL10368170

CN(C)Cc1cc(Cc2csc(S(N)(=O)=O)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.65
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10391021 0.78 CA2 (0.60) CA2
SCHEMBL10370361 0.76 CA2 (1.00) CA2
SCHEMBL10391075 0.72 CA2 (0.50) CA2
SCHEMBL10390690 0.71 CA2 (0.63) CA2
SCHEMBL9828407 0.71 CA2 (0.60) CA2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL21963164 0.70 CA2 (0.50) CA2
SCHEMBL29405336 0.70 ALDH1A1 (0.64) CA2KDM4EMEN1ALDH1A1POLB
SCHEMBL1698928 0.70 ALDH1A1 (0.64) CA2KDM4EMEN1ALDH1A1POLB
SCHEMBL9827904 0.68 CA2 (1.00) CA2SLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL29426319 0.68 CA2 (0.97) CA2SLC6A2SLC6A4SLC6A3KDM4E

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
EP-0268396-B1 4-(BENZOYL)THIOPHENE(OR FURAN)-SULFONAMIDE AND DERIVATIVES THEREOF FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURES MERCK & CO. INC. (US) 1990-11-28 EP claimed
EP-0268396-A1 4-(benzoyl)thiophene(or furan)-sulfonamide and derivatives thereof for the topical treatment of elevated intraocular pressures MERCK & CO. INC. (US) 1988-05-25 EP claimed