SCHEMBL9631317

SCHEMBL9631317

COC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA7 P43166 7/20 0.46
CA13 Q8N1Q1 7/20 0.46
TP53 P04637 1/20 0.45
DRD2 P14416 2/20 0.45
TBXA2R P21731 2/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.44
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
CA3 P07451 3/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9631182 0.92 CA1 (0.46) CA1CA2CA7CA13TP53
SCHEMBL9630182 0.86 CA1 (0.51) CA1CA2CA7CA13CA12
SCHEMBL9630937 0.82 CA1 (0.48) CA1CA2CA7CA13CA12
SCHEMBL9630905 0.81 KDM4E (0.47) CA1CA2CA7CA13CA12
SCHEMBL9632306 0.81 KDM4E (0.47) CA1CA2CA7CA13CA12
SCHEMBL9631800 0.79 CA1 (0.52) CA1CA2CA7CA13CA12
SCHEMBL9632120 0.75 KDM4E (0.48) CA1CA2CA7CA13CA12
SCHEMBL9630166 0.74 CA1 (0.50) CA1CA2CA7CA13CA12
SCHEMBL9630193 0.73 CA1 (0.49) CA1CA2CA7CA13CA12
SCHEMBL9630225 0.72 CA1 (0.65) CA1CA2CA7CA13CA12

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-0324988-B1 4-CHLOR-3-SULFAMOYL BENZOIC ACID HYDRAZIDES, PROCESS FOR THEIR PREPARATION, MEDICINES CONTAINING THEM AND USE OF THESE COMPOUNDS IN THE PREPARATION OF DIURETIC AND SALT REDUCING ACTIVITY MEDICINES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-04-29 EP disclosed
US-4916149-A Diuretic and saluretic 4-chloro-3-sulfamoylbenzoic acid hydrazides CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-04-10 US disclosed
EP-0324988-A1 4-Chlor-3-sulfamoyl benzoic acid hydrazides, process for their preparation, medicines containing them and use of these compounds in the preparation of diuretic and salt reducing activity medicines CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-07-26 EP disclosed