SCHEMBL306481

SCHEMBL306481

O=C1CCCN1c1cccc(NCc2ccc(Cl)cc2)c1.O=C1COc2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3cccc(N4CCCC4=O)c3)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
POLB P06746 1/20 0.41
PKM P14618 2/20 0.39
DRD4 P21917 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PRNP P04156 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL1968022 0.86 KMT2A (0.48) PARP1POLBPKMDRD4PRNP
SCHEMBL318081 0.82 DRD4 (0.39) PARP1POLBPKMDRD4CNR2
SCHEMBL1966404 0.80 DRD4 (0.51) POLBDRD4CNR2PRNPKMT2A
SCHEMBL1966068 0.77 KCNA5 (0.41) CNR2LMNAHPGDTSHRKMT2A
SCHEMBL304739 0.76 CNR2 (0.43) POLBCNR2LMNAKMT2AMEN1
SCHEMBL3263279 0.75 DRD4 (0.50) PARP1POLBPKMDRD4KMT2A
SCHEMBL3230248 0.74 LMNA (0.57) PARP1LMNAHPGDTSHRKMT2A
SCHEMBL3376941 0.73 POLB (0.49) POLBPKMPRNPKMT2AMEN1
SCHEMBL3260086 0.72 TSHR (0.39) CNR2LMNAHPGDTSHRKMT2A
SCHEMBL1976194 0.72 CNR2 (0.39) CNR2LMNAHPGDTSHRKMT2A

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
JP-2012500835-A 2012-01-12 JP claimed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP claimed