SCHEMBL303593

SCHEMBL303593

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1.CN(C)C(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 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
SCHEMBL3376397 0.86 KMT2A (0.50) LMNAAPOBEC3AAPOBEC3GTDP1TP53
SCHEMBL303989 0.79 KMT2A (0.41) LMNATSHRALDH1A1MAPTKMT2A
SCHEMBL2212006 0.79 KMT2A (0.38) LMNATSHRALDH1A1MAPTKMT2A
SCHEMBL3275527 0.78 LMNA (0.51) LMNATP53TSHRALDH1A1MAPT
SCHEMBL304444 0.76 MAPT (0.43) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL2189008 0.76 LMNA (0.49) LMNATSHRALDH1A1MAPTKMT2A
SCHEMBL3376926 0.76 MAPT (0.60) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL18487096 0.73 MEN1 (0.46) ALDH1A1MAPTKMT2AMEN1
SCHEMBL303353 0.73 LMNA (0.43) LMNATP53TSHRMAPTKMT2A
SCHEMBL304469 0.72 LMNA (0.48) LMNAALDH1A1MAPTKMT2AMEN1

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