SCHEMBL28794873

SCHEMBL28794873

O=C(NCCCOc1ccccc1)n1cnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.70
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
ALOX15 P16050 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL29795481 1.00 ASAH1 (0.70) ASAH1L3MBTL1SMN1; SMN2ALOX15LMNA
SCHEMBL28794759 0.96 ASAH1 (0.64) ASAH1L3MBTL1SMN1; SMN2ALOX15LMNA
SCHEMBL29795566 0.96 ASAH1 (0.64) ASAH1L3MBTL1SMN1; SMN2ALOX15LMNA
SCHEMBL29795616 0.86 ASAH1 (0.57) ASAH1SMN1; SMN2ALOX15LMNAHSD17B10
SCHEMBL28794689 0.86 ASAH1 (0.57) ASAH1SMN1; SMN2ALOX15LMNAHSD17B10
SCHEMBL29795398 0.83 ASAH1 (0.93) ASAH1L3MBTL1SMN1; SMN2LMNA
SCHEMBL28794797 0.83 ASAH1 (0.93) ASAH1L3MBTL1SMN1; SMN2LMNA
SCHEMBL10654951 0.83 ASAH1 (0.90) ASAH1SMN1; SMN2TSHRHSD17B10HPGD
SCHEMBL29795633 0.82 ASAH1 (1.00) ASAH1
SCHEMBL28945621 0.82 ASAH1 (1.00) ASAH1

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