SCHEMBL29795656

SCHEMBL29795656

CC(C)CCNC(=O)n1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAMPT P43490 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
GGPS1 O95749 1/20 0.44
FDPS P14324 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4619935 0.86 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL28794811 0.84 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL29795462 0.84 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10654951 0.82 ASAH1 (0.90) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL29795663 0.81 ASAH1 (0.97) ASAH1NPC1ALDH1A1MAPTHPGD
SCHEMBL23122842 0.80 ASAH1 (0.83) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL29795449 0.80 ASAH1 (0.83) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL29795432 0.79 ASAH1 (0.43) ASAH1SMN1; SMN2NPC1HPGDNAMPT
SCHEMBL13897309 0.78 ASAH1 (0.70) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL28794776 0.78 ASAH1 (0.77) ASAH1SMN1; SMN2NPC1ALDH1A1HPGD

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-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed