SCHEMBL8889652

SCHEMBL8889652

COC(C)([CH]C(=O)Nc1ccccn1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 8/20 0.46
PKM P14618 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
F2 P00734 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1515626 0.85 NPC1 (0.53) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL1515392 0.80 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL14562612 0.76 RAB9A (0.66) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL9586710 0.73 NPC1 (0.56) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL9586718 0.73 NPC1 (0.56) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL7876552 0.72 NPC1 (0.50) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL1185009 0.72 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL9080412 0.72 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL7873371 0.71 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KMT2AGAA
SCHEMBL7876926 0.71 NPC1 (0.53) NPC1RAB9APKMSMN1; SMN2KMT2A

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
WO-1997003966-A1 N-(AMINO ACID) SUBSTITUTED SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed