SCHEMBL30895613

SCHEMBL30895613

c1ccc(/N=C2\CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 10/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 6/20 0.44
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
G6PC1 P35575 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3610496 1.00 L3MBTL1 (0.46) L3MBTL1HPGDCES1SMN1; SMN2HTT
SCHEMBL3610499 1.00 L3MBTL1 (0.46) L3MBTL1HPGDCES1SMN1; SMN2HTT
SCHEMBL8151933 1.00 L3MBTL1 (0.46) L3MBTL1HPGDCES1SMN1; SMN2HTT
SCHEMBL19433073 0.88 L3MBTL1 (0.56) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL19713080 0.88 L3MBTL1 (0.56) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL19733319 0.88 L3MBTL1 (0.56) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL18786507 0.79 ALDH1A1 (0.45) L3MBTL1SMN1; SMN2HTTMAPTNPC1
SCHEMBL21972133 0.78 L3MBTL1 (0.48) L3MBTL1HPGDCES1SMN1; SMN2HTT
SCHEMBL13826488 0.75 L3MBTL1 (0.46) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL20457146 0.74 SMN1; SMN2 (0.51) L3MBTL1HPGDCES1SMN1; SMN2HTT

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-2024100405-A1 CATALYTIC HYDROGENATION PROCESS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2024-05-16 WO disclosed