SCHEMBL29795398

SCHEMBL29795398

O=C(NCCCc1ccccc1)n1cnc2ccccc21

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 15/20 0.93
NAMPT P43490 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL28794797 1.00 ASAH1 (0.93) ASAH1NAMPTL3MBTL1MAPK1LMNA
SCHEMBL28945621 0.96 ASAH1 (1.00) ASAH1NAMPT
SCHEMBL29795633 0.96 ASAH1 (1.00) ASAH1NAMPT
SCHEMBL23122842 0.92 ASAH1 (0.83) ASAH1L3MBTL1MAPK1LMNASMN1; SMN2
SCHEMBL29795449 0.92 ASAH1 (0.83) ASAH1L3MBTL1MAPK1LMNASMN1; SMN2
SCHEMBL10654951 0.84 ASAH1 (0.90) ASAH1SMN1; SMN2
SCHEMBL29795537 0.84 ASAH1 (0.67) ASAH1NAMPTL3MBTL1
SCHEMBL28945648 0.84 ASAH1 (0.67) ASAH1NAMPTL3MBTL1
SCHEMBL29795580 0.83 ASAH1 (1.00) ASAH1L3MBTL1LMNASMN1; SMN2
SCHEMBL29795481 0.83 ASAH1 (0.70) ASAH1L3MBTL1LMNASMN1; SMN2

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