SCHEMBL2211059

SCHEMBL2211059

Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NCCO)c2)n1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 4/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
PIK3CG P48736 1/20 0.36

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
SCHEMBL304312 0.88 KMT2A (0.40) CXCR3MEN1KMT2AALDH1A1LMNA
SCHEMBL325167 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3378801 0.82 PIK3CG (0.43) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL3378381 0.81 MEN1 (0.42) CXCR3MEN1KMT2AHTTLMNA
SCHEMBL303882 0.81 KMT2A (0.40) CXCR3MEN1KMT2AALDH1A1KDM4E
SCHEMBL303301 0.81 MEN1 (0.41) CXCR3MEN1KMT2AALDH1A1HTT
SCHEMBL304106 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATRPM8
SCHEMBL302499 0.79 PIK3CG (0.41) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL2211916 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1LMNATRPM8
SCHEMBL2211492 0.79 MEN1 (0.53) CXCR3MEN1KMT2AALDH1A1LMNA

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-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed