SCHEMBL29795462

SCHEMBL29795462

CC(C)OCCNC(=O)n1cnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.45
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
NAMPT P43490 1/20 0.42
MEN1 O00255 2/20 0.42
FGFR1 P11362 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.41

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
SCHEMBL28794811 1.00 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2AAPAF1ALDH1A1
SCHEMBL29795656 0.84 ASAH1 (0.67) ASAH1SMN1; SMN2KMT2AAPAF1ALDH1A1
SCHEMBL29795566 0.83 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2ANPC1HPGD
SCHEMBL28794759 0.83 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2ANPC1HPGD
SCHEMBL4619935 0.81 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2AAPAF1ALDH1A1
SCHEMBL10654951 0.80 ASAH1 (0.90) ASAH1SMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL28945626 0.80 ASAH1 (0.67) ASAH1SMN1; SMN2KMT2A
SCHEMBL29795387 0.80 ASAH1 (0.67) ASAH1SMN1; SMN2KMT2A
SCHEMBL28794873 0.80 ASAH1 (0.70) ASAH1SMN1; SMN2KMT2ANPC1HPGD
SCHEMBL29795481 0.80 ASAH1 (0.70) ASAH1SMN1; SMN2KMT2ANPC1HPGD

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