SCHEMBL29424873

SCHEMBL29424873

OB(O)c1ccc(Cn2cnc3c(Cl)nccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.44
▸ HTR6 P50406 2/20 0.41
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ AHCY P23526 4/20 0.37
▸ FGFR1 P11362 4/20 0.37
▸ FGFR4 P22455 4/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ EGLN3 Q9H6Z9 1/20 0.36

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 1.00 EGLN1 (0.44) EGLN1HTR6CYP11B1CYP11B2MAPK1
SCHEMBL22533673 0.86 AHCY (0.52) EGLN1HTR6AHCY
SCHEMBL29424716 0.86 AHCY (0.52) EGLN1HTR6AHCY
SCHEMBL29424691 0.86 EGLN1 (0.42) EGLN1HTR6CYP11B1CYP11B2MAPK1
SCHEMBL22533675 0.86 EGLN1 (0.42) EGLN1HTR6CYP11B1CYP11B2MAPK1
SCHEMBL28717002 0.82 L3MBTL1 (0.41) EGLN1HTR6CYP11B1CYP11B2HTT
SCHEMBL8669239 0.81 HTR6 (0.59) EGLN1HTR6CYP11B1CYP11B2MAPK1
SCHEMBL22533905 0.81 EGLN1 (0.51) EGLN1HTR6HDAC6AHCYYTHDC1
SCHEMBL29424721 0.81 EGLN1 (0.51) EGLN1HTR6HDAC6AHCYYTHDC1
SCHEMBL22533568 0.81 CYP11B1 (0.44) EGLN1HTR6CYP11B1CYP11B2MAPK1

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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