SCHEMBL9634818

SCHEMBL9634818

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.47
HDAC4 P56524 10/20 0.47
HDAC1 Q13547 10/20 0.47
HDAC7 Q8WUI4 10/20 0.47
HDAC2 Q92769 10/20 0.47
HDAC10 Q969S8 10/20 0.47
HDAC11 Q96DB2 10/20 0.47
HDAC8 Q9BY41 10/20 0.47
HDAC6 Q9UBN7 10/20 0.47
HDAC9 Q9UKV0 10/20 0.47
HDAC5 Q9UQL6 10/20 0.47
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47
PDE5A O76074 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
CHEK2 O96017 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9635755 0.98 ATP4A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636134 0.93 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9634810 0.89 ADORA2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7270364 0.87 ATP4A (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7281354 0.86 ATP4A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9634385 0.84 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9636322 0.83 ACHE (0.52) ATP4AATP4BNPC1CYP1A2CYP3A4
SCHEMBL9635762 0.81 AURKA (0.55) PDE5A
SCHEMBL9636119 0.81 MEN1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635766 0.79 CHEK2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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