SCHEMBL7301901

SCHEMBL7301901

COc1ccccc1Oc1c(Cl)nc(-c2cccs2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.53
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RPS6KB2 Q9UBS0 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7304349 0.83 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ABCB1ABCC1
SCHEMBL9423667 0.78 NPC1 (0.52) DHPSNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7837861 0.78 ALDH1A1 (0.46) DHPSABCB1ABCC1ABCG2ALDH1A1
SCHEMBL7837858 0.78 ALDH1A1 (0.46) DHPSABCB1ABCC1ABCG2ALDH1A1
SCHEMBL7303389 0.78 DHPS (0.81) DHPSALDH1A1
SCHEMBL7300163 0.77 EDNRA (0.63) DHPS
SCHEMBL4071996 0.77 DHPS (0.67) DHPSNPC1RAB9ASMN1; SMN2
SCHEMBL7204802 0.77 DHPS (0.57) DHPSSMN1; SMN2ALDH1A1
SCHEMBL5632471 0.77 DHPS (0.57) DHPSSMN1; SMN2ALDH1A1
SCHEMBL7293181 0.77 DHPS (0.59) DHPS

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
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed