SCHEMBL8020823

SCHEMBL8020823

CN(C(=O)COc1cccc(N(Cc2ccccc2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.39
PDE5A O76074 1/20 0.39
PPIB P23284 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
HPSE Q9Y251 1/20 0.39
MLYCD O95822 1/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8033859 0.93 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8029991 0.92 LTB4R (0.41) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8036230 0.91 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8030178 0.91 MLYCD (0.39) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8036223 0.89 CCR3 (0.38) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8020628 0.89 KMT2A (0.42) SMN1; SMN2NPC1HTTKMT2AMEN1
SCHEMBL8030526 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8020941 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8031868 0.89 PPIB (0.38) SMN1; SMN2NPC1RAB9AMAPK1PDE5A
SCHEMBL8031875 0.89 MAPK1 (0.40) SMN1; SMN2MAPK1PDE5AHTTLTB4R2

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed