SCHEMBL8628518

SCHEMBL8628518

O=C(COc1cccc2cccnc12)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
MAPT P10636 7/20 0.78
ALDH1A1 P00352 5/20 0.78
RXFP1 Q9HBX9 1/20 0.78
HSP90AA1 P07900 1/20 0.67
HPGD P15428 2/20 0.66
TP53 P04637 1/20 0.66
POLB P06746 4/20 0.62
BLM P54132 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MPI P34949 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58

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
SCHEMBL12167638 0.84 RAB9A (0.72) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL14112022 0.82 L3MBTL1 (0.69) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL4619352 0.82 NPC1 (0.70) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL28678208 0.82 MAPT (1.00) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL9871210 0.82 RAB9A (0.69) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL4639142 0.82 SCN9A (0.70) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL45506 0.81 MAPT (0.68) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL7360935 0.81 HSP90AA1 (1.00) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL12003962 0.80 MEN1 (0.80) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL4619283 0.79 L3MBTL1 (0.65) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869958-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-10-14 EP claimed
WO-1998014447-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-04-09 WO claimed