SCHEMBL4355930

SCHEMBL4355930

COc1ccc2c(C(=O)C(=O)N(CC(=O)NC3CCCCC3)CC(=O)N(C3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 7/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MITF O75030 6/20 0.43
OPRK1 P41145 2/20 0.43
HTT P42858 2/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 6/20 0.42
PKM P14618 5/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL3950152 0.94 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1MITFOPRK1
SCHEMBL4158477 0.90 MAPT (0.60) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950434 0.89 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950369 0.89 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950920 0.88 ALDH1A1 (0.62) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3946896 0.88 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4211551 0.87 MAPT (0.59) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3941329 0.86 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950431 0.86 MAPT (0.60) MAPTALDH1A1L3MBTL1MITFOPRK1
SCHEMBL3946586 0.86 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1HTTMEN1

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-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed