SCHEMBL8635732

SCHEMBL8635732

Cc1cc(N(C)c2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.38
KCNJ3 P48549 1/20 0.38
KIF11 P52732 1/20 0.36
LTC4S Q16873 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSD11B1 P28845 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL8635192 0.87 RXRA (0.35) KCNJ6KCNJ3LTC4SGPBAR1
SCHEMBL8635629 0.85 FLT1 (0.36) KCNJ6KCNJ3LTC4S
SCHEMBL8635329 0.84 SLC9A1 (0.35)
SCHEMBL8635012 0.84 NSD2 (0.36)
SCHEMBL7766601 0.84 SLC9A1 (0.56)
SCHEMBL8634267 0.82 KEAP1 (0.41) KCNJ6KCNJ3
SCHEMBL8633950 0.81 SIRT2 (0.35) CYP11B1CYP11B2
SCHEMBL8632865 0.81 RORC (0.36) GPBAR1
SCHEMBL8634338 0.79 ALDH1A1 (0.38) KCNJ6KCNJ3GPBAR1
SCHEMBL8638285 0.78 PDE4B (0.41) LTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed