SCHEMBL3263689

SCHEMBL3263689

Clc1ccc(CNc2cccc(N3CCOCC3)c2)cc1.Cn1cc(S(=O)(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.49
MEF2D Q14814 3/20 0.49
ALOX12 P18054 3/20 0.43
NTRK1 P04629 1/20 0.42
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP11B2 P19099 1/20 0.41
PLK4 O00444 1/20 0.41
STAT6 P42226 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL1976235 0.86 CNR2 (0.44) HDAC4MEF2DALOX12NTRK1NAMPT
SCHEMBL3263684 0.85 KDM1A (0.50) NAMPTMAPK1SMN1; SMN2HDAC1LMNA
SCHEMBL3262613 0.85 HDAC4 (0.45) HDAC4MEF2DALOX12NTRK1NAMPT
SCHEMBL3262741 0.82 KDR (0.38) HDAC4MEF2DNAMPTRAB9ANPC1
SCHEMBL1964857 0.82 HDAC4 (0.54) HDAC4MEF2DALOX12NTRK1L3MBTL1
SCHEMBL318081 0.76 DRD4 (0.39)
SCHEMBL3263279 0.76 DRD4 (0.50) GAAMAPTALDH1A1MAPK1
SCHEMBL3261430 0.75 HTR2C (0.40) HDAC4MEF2DNTRK1L3MBTL1GAA
SCHEMBL1964227 0.72 HDAC4 (0.60) HDAC4MEF2DALOX12L3MBTL1GAA
SCHEMBL11935851 0.72 JAK2 (0.51) HDAC4MEF2DALOX12NAMPTL3MBTL1

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
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed