SCHEMBL303267

SCHEMBL303267

CC(C)NC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1.Cc1nc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NC(C)C)c2)cn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
CPT1A P50416 2/20 0.35

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
SCHEMBL3377134 0.91 KMT2A (0.42) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL2214352 0.87 KDM4E (0.42) PPARGKMT2AMEN1PSEN1PSEN2
SCHEMBL2214984 0.82 KMT2A (0.38) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL304042 0.80 MAPT (0.46) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3378121 0.80 MAPT (0.46) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL303353 0.77 LMNA (0.43) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL3377457 0.75 MAPT (0.40) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3376447 0.74 AVPR2 (0.37) KMT2AMEN1LMNAGAAHTT
SCHEMBL3376229 0.74 ALDH1A1 (0.53) LMNAGAAHTTALDH1A1PKM
SCHEMBL3376941 0.73 POLB (0.49) KMT2AMEN1GAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed