SCHEMBL303989

SCHEMBL303989

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)N3CCN(CC4CCCCC4)CC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
CTSD P07339 3/20 0.39
BACE1 P56817 3/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PRKAA2 P54646 1/20 0.36
NAMPT P43490 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
SCHEMBL2212006 0.97 KMT2A (0.38) KMT2AHPGDLMNACTSDBACE1
SCHEMBL3378334 0.88 KMT2A (0.45) KMT2AHPGDLMNAPKMALDH1A1
SCHEMBL302272 0.80 KMT2A (0.51) KMT2AHPGDLMNAALDH1A1NAMPT
SCHEMBL303593 0.79 LMNA (0.38) KMT2AHPGDLMNAALDH1A1TSHR
SCHEMBL3379839 0.78 LMNA (0.56) KMT2ALMNAALDH1A1MAPT
SCHEMBL2211106 0.77 LMNA (0.48) KMT2AHPGDLMNAPKMALDH1A1
SCHEMBL3376397 0.75 KMT2A (0.50) KMT2AHPGDLMNAALDH1A1TSHR
SCHEMBL303353 0.74 LMNA (0.43) KMT2ALMNACTSDBACE1BACE2
SCHEMBL17075498 0.74 LMNA (0.45) KMT2AHPGDLMNACTSDBACE1
SCHEMBL18487096 0.73 MEN1 (0.46) KMT2AALDH1A1MAPT

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