SCHEMBL10495686

SCHEMBL10495686

NC(=O)c1c(Br)cc(Br)c(C(=O)O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAP2K1 Q02750 1/20 0.36
TTR P02766 1/20 0.35
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
PARP1 P09874 2/20 0.32
AKR1C4 P17516 1/20 0.32

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
SCHEMBL28018954 0.89 TTR (0.42) CA1CA2CA4CA6CA12
SCHEMBL11678633 0.79 EIF2AK2 (0.41) CA1CA2CA4CA6CA12
SCHEMBL11054015 0.79 F2 (0.39) F2PRSS1PRSS2PRSS3PARP1
SCHEMBL7821421 0.78 GSK3B (0.39) CA1CA2CA4CA6CA12
SCHEMBL10495679 0.78 CA1 (0.44) CA1CA2CA4CA6MAP2K1
SCHEMBL124390 0.76 TTR (0.52) CA1CA2CA4CA6TTR
SCHEMBL30009277 0.76 TTR (0.52) CA1CA2CA4CA6TTR
SCHEMBL10495740 0.75 CSNK2A2 (0.34) MAP2K1
SCHEMBL8730327 0.75 TTR (0.39) CA1CA2CA4CA6CA12
SCHEMBL27536492 0.74 CYP3A4 (0.45) TTRKDM4ECYP3A4HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4869913-A DIETETICS SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4522839-A 3-Substituted 2,4,6-trihalogenated benzamides as sweetening agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed
EP-0055689-B1 3-SUBSTITUTED 2,4,6-TRIHALOGENOBENZAMIDES AND THEIR SALTS, THEIR PREPARATION AND THEIR USE AS SUBSTITUTES FOR NATURAL SWEETENING AGENTS, AND SWEETENERS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
US-4429152-A DIABETES, DIETETICS SCHERING, AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0055689-A1 3-Substituted 2,4,6-trihalogenobenzamides and their salts, their preparation and their use as substitutes for natural sweetening agents, and sweeteners containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-07-07 EP disclosed