SCHEMBL4075834

SCHEMBL4075834

NC(OC(=O)CCCC(=O)NCc1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
TPSAB1 Q15661 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
EPHX2 P34913 2/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4079705 0.84 SMN1; SMN2 (0.47) NPC1GAATPSAB1KMT2AL3MBTL1
SCHEMBL4075832 0.82 GAA (0.64) LMNANPC1GAATPSAB1MAPT
SCHEMBL4075831 0.77 GAA (0.61) LMNANPC1GAATPSAB1MAPT
SCHEMBL17372432 0.71 NPC1 (0.57) LMNANPC1GAAMAPTRXFP1
SCHEMBL17570500 0.71 AOC3 (0.65) LMNANPC1TPSAB1MAPTF10
SCHEMBL17785699 0.71 LMNA (0.55) LMNANPC1MAPTEPHX2
SCHEMBL24499495 0.69 NPC1 (0.61) LMNANPC1MAPTF10F7
SCHEMBL6290206 0.69 NPC1 (0.61) LMNANPC1MAPTF10F7
SCHEMBL6290205 0.69 NPC1 (0.61) LMNANPC1MAPTF10F7
SCHEMBL10690766 0.69 ALDH1A1 (0.55) LMNAGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed