SCHEMBL9634385

SCHEMBL9634385

COC(=O)COc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.54
HDAC4 P56524 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC6 Q9UBN7 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
HPSE Q9Y251 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9634810 0.89 ADORA2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636119 0.87 MEN1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636134 0.87 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635829 0.87 HDAC6 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635755 0.86 ATP4A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635749 0.84 LPAR2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9634818 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636021 0.84 PDE5A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635076 0.83 PDE5A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636406 0.81 ALDH1A1 (0.54) SMN1; SMN2KDM4ENPC1MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed