SCHEMBL28717002

SCHEMBL28717002

COc1nccc2c1ncn2Cc1ccc(B(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ DCTPP1 Q9H773 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ YTHDC1 Q96MU7 3/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AHCY P23526 3/20 0.34

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
SCHEMBL22533661 0.82 EGLN1 (0.44) EGLN1HTR6DCTPP1YTHDC1CYP11B1
SCHEMBL29424716 0.82 AHCY (0.52) L3MBTL1MEN1KMT2AEGLN1HTR6
SCHEMBL29424691 0.82 EGLN1 (0.42) L3MBTL1MEN1KMT2AEGLN1HTR6
SCHEMBL22533675 0.82 EGLN1 (0.42) L3MBTL1MEN1KMT2AEGLN1HTR6
SCHEMBL22533673 0.82 AHCY (0.52) L3MBTL1MEN1KMT2AEGLN1HTR6
SCHEMBL29424873 0.82 EGLN1 (0.44) EGLN1HTR6DCTPP1YTHDC1CYP11B1
SCHEMBL22533644 0.80 ACACB (0.39) HTR6LMNADCTPP1SMN1; SMN2
SCHEMBL29424845 0.80 ACACB (0.39) HTR6LMNADCTPP1SMN1; SMN2
SCHEMBL22533918 0.80 LMNA (0.42) L3MBTL1MEN1KMT2ALMNAYTHDC1
SCHEMBL22533420 0.80 HPGD (0.56) MEN1KMT2AHPGDHTT

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-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
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