SCHEMBL9528983

SCHEMBL9528983

O=Cc1ccsc1SCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.36
CDC25B P30305 1/20 0.35
GRK6 P43250 1/20 0.35
PHGDH O43175 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5736865 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL9431644 0.81 KMT2A (0.51) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL2276946 0.79 KMT2A (0.45) CYP1A2HSD17B10CYP3A4CYP2C19KDM4E
SCHEMBL5632525 0.77 CYP1A2 (0.46) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL9350805 0.75 CYP1A2 (0.44) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL9353590 0.75 CYP1A2 (0.44) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL29956829 0.72 CYP1A2 (0.42) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL11717863 0.71 KMT2A (0.41) CYP1A2HSD17B10CYP3A4CYP2C19FFAR1
SCHEMBL9690746 0.70
SCHEMBL28519015 0.69 SRC (0.42) CYP1A2HSD17B10KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307084-B1 Substituted thieno(2,3-b)thiophene-2-sulfonamides as antiglaucoma agents MERCK & CO INC (US) 1993-12-15 EP disclosed
EP-0366178-B1 5-[N-methoxyethyl-N-methoxyethoxyethyl)aminomethyl]thieno [2,3-b] thiophene-2-sulfonamide as antiglaucoma agents MERCK & CO. INC. (US) 1992-06-17 EP disclosed
EP-0366178-A1 5-[N-methoxyethyl-N-methoxyethoxyethyl)aminomethyl]thieno [2,3-b] thiophene-2-sulfonamide as antiglaucoma agents MERCK & CO. INC. (US) 1990-05-02 EP disclosed
US-4894390-A VISION DEFECTS MERCK & CO., INC. (US) 1990-01-16 US disclosed
EP-0307084-A1 Substituted thieno(2,3-b)thiophene-2-sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1989-03-15 EP disclosed
US-4806562-A Substituted thieno[2,3-b]thiophene-2-sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1989-02-21 US disclosed