SCHEMBL28794766

SCHEMBL28794766

O=C(NCCN1CCOCC1)n1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.60
▸ HTT P42858 1/20 0.58
▸ ASAH1 Q13510 6/20 0.57
▸ BCHE P06276 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ CD274 Q9NZQ7 1/20 0.49
▸ HPGDS O60760 1/20 0.48

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
SCHEMBL10666210 0.75 CNR2 (0.59) —
SCHEMBL29795449 0.75 ASAH1 (0.83) MAPK1HTTASAH1BCHESMN1; SMN2
SCHEMBL10654951 0.75 ASAH1 (0.90) HTTASAH1BCHESMN1; SMN2HPGD
SCHEMBL23122842 0.75 ASAH1 (0.83) MAPK1HTTASAH1BCHESMN1; SMN2
SCHEMBL29795290 0.74 ASAH1 (0.67) MAPK1HTTASAH1SMN1; SMN2HPGD
SCHEMBL28794675 0.74 ASAH1 (0.67) MAPK1HTTASAH1SMN1; SMN2HPGD
SCHEMBL6871616 0.74 TDP1 (0.69) MAPK1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29795656 0.74 ASAH1 (0.67) ASAH1SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL29795663 0.74 ASAH1 (0.97) ASAH1HPGDALDH1A1HSD17B10
SCHEMBL23124212 0.73 ASAH1 (0.55) MAPK1HTTASAH1SMN1; SMN2ALDH1A1

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
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
Send feedback