SCHEMBL3942936

SCHEMBL3942936

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)C(C(=O)Nc3cccc(NC(C)=O)c3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.40
BCHE P06276 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL3942940 1.00 MAPT (0.47) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL3941054 0.95 MAPT (0.49) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL3941048 0.95 MAPT (0.49) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL3940683 0.93 MAPT (0.50) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL4206065 0.91 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4206059 0.91 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4033045 0.89 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4202348 0.89 MAPT (0.52) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL3950752 0.87 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3941764 0.86 MAPT (0.52) MAPTALDH1A1L3MBTL1TP53MEN1

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