SCHEMBL10466615

SCHEMBL10466615

COC(=O)c1ccc(C#CCOCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.34
SLC2A1 P11166 1/20 0.33
NR1H2 P55055 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
MAOB P27338 4/20 0.32
KCNH2 Q12809 1/20 0.31
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10468372 0.88 NR1H3 (0.33) NR1H3SLC2A1NR1H2BCHEACHE
SCHEMBL10466933 0.84 NR1H3 (0.36) NR1H3SLC2A1NR1H2EGLN1MAOB
SCHEMBL10466931 0.84 NR1H3 (0.33) NR1H3SLC2A1KDM4E
SCHEMBL9764279 0.84 NR1H3 (0.35) NR1H3SLC2A1MAOBBCHEACHE
SCHEMBL9764538 0.83 HPGD (0.35) NR1H3MAOBBCHEACHEKDM4E
SCHEMBL10466598 0.83 MMP13 (0.34) NR1H3SLC2A1MAOBBCHEACHE
SCHEMBL9319139 0.82 MAOB (0.38) NR1H3MAOB
SCHEMBL9764422 0.82 LTA4H (0.37) KCNH2KDM4EMEN1KMT2A
SCHEMBL10468115 0.81 RORC (0.35) NR1H3SLC2A1MAOBKCNH2KDM4E
SCHEMBL9764548 0.81 KCNH2 (0.33) NR1H3KCNH2BCHEACHEKDM4E

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
US-4921867-A Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction GLAXO GROUP LIMITED (GB) 1990-05-01 US disclosed