SCHEMBL8794846

SCHEMBL8794846

CC(=O)Nc1c(Cl)cc([N+]#N)cc1Cl.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
BACE1 P56817 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL9435245 0.88 KMT2A (0.34) KDM4EKMT2AMAPK1MEN1BACE1
SCHEMBL8773869 0.73 POLB (0.41) KDM4EKMT2AMAPK1MEN1BACE1
SCHEMBL9031190 0.73 ALDH1A1 (0.49) KDM4EKMT2AMAPK1MEN1HSD17B10
SCHEMBL239767 0.71 KMT2A (0.53) KDM4EKMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL7264596 0.71 KMT2A (0.54) KMT2AMEN1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2192678 0.71 HSD17B10 (0.42) KDM4EKMT2AMAPK1MEN1HSD17B10
SCHEMBL8794840 0.71 LMNA (0.54) KDM4EKMT2AMEN1BACE1HSD17B10
SCHEMBL5478604 0.70 ALDH1A1 (0.38) HSD17B10ALDH1A1
SCHEMBL28269576 0.70 ALDH1A1 (0.51) MAPK1HSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL7810225 0.70 CA1 (0.45) KDM4EKMT2AMEN1BACE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611003-B1 Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity MERCK & CO INC (US) 1997-06-18 EP disclosed
US-5451677-A Substituted phenyl sulfonamides as selective β 3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1995-09-19 US disclosed
WO-1994018161-A1 SUBSTITUTED PHENYL SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1994-08-18 WO disclosed
EP-0611003-A1 Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity MERCK & CO. INC. (US) 1994-08-17 EP disclosed