SCHEMBL11213161

SCHEMBL11213161

NS(=O)(=O)c1cc(C(O)CBr)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.44
CA2 P00918 19/20 0.44
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA12 O43570 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CISD1 Q9NZ45 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
SCHEMBL11375961 0.86 BLM (0.50) CA1CA2CA7CA13CA12
SCHEMBL7980708 0.81 GSTO1 (0.49)
SCHEMBL7980710 0.81 GSTO1 (0.49)
SCHEMBL11596834 0.81 GSTO1 (0.49)
SCHEMBL29469837 0.79 CA1 (0.50) CA1CA2CA7CA13CA12
SCHEMBL7143334 0.79 CA1 (0.50) CA1CA2CA7CA13CA12
SCHEMBL14870027 0.77 CA2 (0.41) CA1CA2CA7CA13CA12
SCHEMBL6926529 0.76 HTR1A (0.45)
SCHEMBL27529169 0.76 HTR1A (0.45)
SCHEMBL17800814 0.76 CA1 (0.47) 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-0023964-B1 PHENYLIMINOTHIAZOLINE DERIVATIVES, THEIR PREPARATION AND INTERMEDIATES THEREFOR, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
US-4346088-A ANTILIPEMICS HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-24 US disclosed
EP-0023964-A1 Phenyliminothiazoline derivatives, their preparation and intermediates therefor, pharmaceutical preparations containing them and their production HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-18 EP disclosed