SCHEMBL6561831

SCHEMBL6561831

CNC(=O)/C=C(/c1ccc(OC)cc1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 5/20 0.43
ADORA3 P0DMS8 2/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MTNR1A P48039 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PLK1 P53350 1/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL6561769 1.00 NPC1 (0.43) NPC1RAB9AKMT2AADORA3CASP3
SCHEMBL6561900 0.85 NPC1 (0.51) NPC1RAB9AKMT2AMTNR1APLK1
SCHEMBL6560669 0.85 NPC1 (0.51) NPC1RAB9AKMT2AMTNR1APLK1
SCHEMBL6561772 0.81 POLB (0.44) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL6563174 0.80 PLK1 (0.53) NPC1RAB9AKMT2AMTNR1APLK1
SCHEMBL6563179 0.80 PLK1 (0.53) NPC1RAB9AKMT2AMTNR1APLK1
SCHEMBL6563238 0.79 PLK1 (0.41) NPC1RAB9AKMT2APLK1MEN1
SCHEMBL6560697 0.79 NPC1 (0.51) NPC1RAB9AKMT2APLK1MEN1
SCHEMBL6561877 0.79 NPC1 (0.51) NPC1RAB9AKMT2APLK1MEN1
SCHEMBL6562099 0.79 PLK1 (0.41) NPC1RAB9AKMT2APLK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed