SCHEMBL27962152

SCHEMBL27962152

COc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
TOP1 P11387 2/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
GUSB P08236 1/20 0.35
APLNR P35414 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
MCL1 Q07820 1/20 0.34
NOX1 Q9Y5S8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL27962161 0.86 GSK3B (0.37) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14740995 0.83 NPC1 (0.38) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14740974 0.82 GSK3B (0.37) GSK3BTOP1NPC1MAPTKDM4E
SCHEMBL14741217 0.81 GSK3B (0.37) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14741090 0.80 TOP1 (0.38) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14741193 0.80 TOP1 (0.36) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14740841 0.80 MAPT (0.36) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14741015 0.79 PTGS1 (0.36) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14741057 0.78 PPARG (0.39) GSK3BTOP1NPC1MEN1KMT2A
SCHEMBL14745288 0.78 MAPT (0.36) GSK3BTOP1NPC1MEN1KMT2A

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
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN claimed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN disclosed