SCHEMBL13203574

SCHEMBL13203574

O=C(NCCO)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ ATR Q13535 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL13203490 0.88 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203569 0.88 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203580 0.87 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13220950 0.85 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203598 0.82 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13221300 0.82 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203579 0.82 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203581 0.81 SMN1; SMN2 (0.56) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203486 0.81 KDM4E (0.54) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13221301 0.80 ESR1 (0.59) HDAC6HDAC3HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
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