SCHEMBL1722971

SCHEMBL1722971

Cn1cnc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C(=O)O)cc2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc(C(=O)O)cc2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C(=O)O)cc2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C(=O)O)cc2F)c1.O=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 1/20 0.49
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
LMNA P02545 2/20 0.44
PTGES O14684 3/20 0.44
ALOX5 P09917 2/20 0.44
TAS2R14 Q9NYV8 4/20 0.43
TRPM8 Q7Z2W7 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR3 P49682 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL1723248 0.86 MEN1 (0.55) MEN1KMT2APOLBLMNATRPM8
SCHEMBL3281840 0.83 KMT2A (0.51) MEN1KMT2ACNR1CNR2PTGES
SCHEMBL1723280 0.83 KMT2A (0.49) MEN1KMT2APOLBCNR1CNR2
SCHEMBL1722397 0.80 MEN1 (0.61) MEN1KMT2APOLBLMNAPTGES
SCHEMBL2211492 0.78 MEN1 (0.53) MEN1KMT2APOLBCNR1CNR2
SCHEMBL304444 0.77 MAPT (0.43) MEN1KMT2ACNR1CNR2LMNA
SCHEMBL2774329 0.75 TAS2R14 (0.74) MEN1KMT2APOLBLMNAPTGES
SCHEMBL1711098 0.75 MEN1 (0.76) MEN1KMT2APOLBCNR1CNR2
SCHEMBL18487096 0.74 MEN1 (0.46) MEN1KMT2APTGESALDH1A1KDM4E
SCHEMBL2212915 0.74 MEN1 (0.58) MEN1KMT2ALMNAPTGESALOX5

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
EP-2344456-A1 NOVEL POTASSIUM CHANNEL BLOCKER Xention Limited (GB) 2011-07-20 EP disclosed
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO disclosed