SCHEMBL28794833

SCHEMBL28794833

O=C(NCCc1ccccc1)n1c(OCCN2CCOCC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 4/20 0.55
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 4/20 0.49
CASP1 P29466 4/20 0.49
CASP7 P55210 4/20 0.49
HPGD P15428 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TP53 P04637 3/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL30098131 1.00 ASAH1 (0.55) ASAH1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29795450 0.80 ASAH1 (0.69) ASAH1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL28794854 0.80 ASAH1 (0.69) ASAH1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL29795545 0.79 ASAH1 (0.62) ASAH1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL24810609 0.79 MEN1 (0.48) ALDH1A1HSD17B10KDM4EMAPTCASP1
SCHEMBL29795635 0.77 ASAH1 (0.87) ASAH1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28945612 0.77 ASAH1 (0.87) ASAH1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28794643 0.76 ASAH1 (0.70) ASAH1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29795565 0.76 ASAH1 (0.70) ASAH1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28794596 0.76 ASAH1 (0.63) ASAH1ALDH1A1MAPTL3MBTL1MEN1

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