SCHEMBL18628170

SCHEMBL18628170

O=C(O)Oc1c(O)c2c([nH]c1=O)-c1ccc(N3CCCC3)cc1OCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.37
ACVR1 Q04771 2/20 0.37
GRM5 P41594 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KIF11 P52732 7/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ERCC1 P07992 1/20 0.31
DNASE1 P24855 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31

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
Hydrochloric Acid SCHEMBL18628183 0.87 TGFBR1 (0.33) TGFBR1ACVR1GRM5
Hydrochloric Acid SCHEMBL18628211 0.85 KCNH2 (0.37) TGFBR1ACVR1
SCHEMBL14745807 0.85 IP6K1 (0.35) TGFBR1ACVR1HSD17B10MAPTL3MBTL1
SCHEMBL18628171 0.83 HSD17B10 (0.34) HSD17B10MAPTL3MBTL1MEN1KMT2A
SCHEMBL18628146 0.83 HSD17B10 (0.34) HSD17B10MAPTL3MBTL1MEN1KMT2A
SCHEMBL18628139 0.81 HSD17B10 (0.33) HSD17B10MAPTL3MBTL1MEN1KMT2A
SCHEMBL18628178 0.81 ROCK2 (0.33) GRM5MEN1KMT2AMAOAMAOB
SCHEMBL18628175 0.81 KIF11 (0.35) HSD17B10MAPTL3MBTL1MEN1KMT2A
SCHEMBL18628247 0.80 KIF11 (0.32) HSD17B10MAPTL3MBTL1MEN1KMT2A
SCHEMBL18628197 0.80 HSD17B10 (0.37) HSD17B10MAPTL3MBTL1MEN1KMT2A

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-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP claimed