SCHEMBL8574451

SCHEMBL8574451

CS(=O)(=O)c1cc(C(=O)O)c(C(F)(F)C(F)(F)F)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
AR P10275 6/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8575478 0.84 SLC9A1 (0.49)
SCHEMBL8575409 0.81 KDM4E (0.39) NR1H2NR1H3KDM4EHSD17B10
SCHEMBL8576511 0.80 LMNA (0.35) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL8576925 0.78 CISD1 (0.44)
SCHEMBL8059191 0.78 SLC9A1 (0.42) KDM4EHSD17B10
SCHEMBL8603912 0.77 CA12 (0.49) KDM4EHSD17B10
SCHEMBL8576417 0.76 NOTUM (0.34) ARKDM4EHSD17B10
SCHEMBL8571645 0.76 XDH (0.35) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL8576497 0.75 KDM4E (0.35) NR1H2NR1H3KDM4EHSD17B10
SCHEMBL8043633 0.75 GABRP (0.36) KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US disclosed
EP-0704431-A2 Ortho-substituted benzoic acid derivatives MERCK PATENT GmbH (DE) 1996-04-03 EP disclosed