SCHEMBL28794854

SCHEMBL28794854

CCOc1nc2ccccc2n1C(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 8/20 0.69
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 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
SCHEMBL29795450 1.00 ASAH1 (0.69) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL28945612 0.88 ASAH1 (0.87) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL29795635 0.88 ASAH1 (0.87) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL29795545 0.86 ASAH1 (0.62) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL28794826 0.86 ALDH1A1 (0.65) ASAH1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL29795738 0.86 ALDH1A1 (0.65) ASAH1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL28794661 0.85 ASAH1 (0.67) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL28794855 0.85 ASAH1 (0.67) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL29795565 0.85 ASAH1 (0.70) ASAH1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL28794643 0.85 ASAH1 (0.70) ASAH1ALDH1A1TSHRPOLBL3MBTL1

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