SCHEMBL8742151

SCHEMBL8742151

Cc1c(Br)cc(C(=O)O)cc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
TPMT P51580 3/20 0.42
HCAR3 P49019 1/20 0.39
HCAR1 Q9BXC0 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GPR35 Q9HC97 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1071876 0.82 TTR (0.62) TTRTPMTHCAR1ALDH1A1KDM4E
SCHEMBL29796089 0.78 TTR (0.48) TTRTPMTHCAR3HCAR1ALDH1A1
SCHEMBL23214050 0.78 TTR (0.48) TTRTPMTHCAR3HCAR1ALDH1A1
SCHEMBL29710249 0.76 TTR (0.56) TTRTPMTHCAR1ALDH1A1KDM4E
SCHEMBL5631374 0.76 TTR (0.56) TTRTPMTHCAR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8956382 0.76 SLC9A1 (0.40)
SCHEMBL30629086 0.76 HCAR3 (0.56) TTRTPMTHCAR3ALDH1A1KDM4E
SCHEMBL7371749 0.76 HCAR3 (0.56) TTRTPMTHCAR3ALDH1A1KDM4E
SCHEMBL15994428 0.76 HCAR3 (0.51) TTRTPMTHCAR3ALDH1A1KDM4E
SCHEMBL30078097 0.75 TPMT (0.59) TTRTPMTHCAR1ALDH1A1KDM4E

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-0603650-B1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AG (DE) 1997-04-02 EP disclosed
US-5516805-A 3,5-substituted aminobenzoylguanidines, their use as a medicament or diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0603650-A1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed