SCHEMBL9636045

SCHEMBL9636045

N#CCOc1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.43
HDAC3 O15379 10/20 0.43
HDAC4 P56524 10/20 0.43
HDAC1 Q13547 10/20 0.43
HDAC7 Q8WUI4 10/20 0.43
HDAC2 Q92769 10/20 0.43
HDAC10 Q969S8 10/20 0.43
HDAC11 Q96DB2 10/20 0.43
HDAC8 Q9BY41 10/20 0.43
HDAC9 Q9UKV0 10/20 0.43
HDAC5 Q9UQL6 10/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
STAT1 P42224 1/20 0.42
LDHA P00338 1/20 0.41

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
SCHEMBL9634643 0.88 MAOB (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL10742377 0.86 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9635551 0.85 PKN1 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9635672 0.84 MAPT (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9634295 0.83 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9634499 0.82 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9636105 0.81 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9634527 0.81 PDE5A (0.39) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL9635887 0.81 AMY1A (0.38) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL9635899 0.81 MEN1 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7

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