SCHEMBL27681897

SCHEMBL27681897

Nc1ccccc1NC(=O)NNC(=O)c1cnccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.78
▸ HDAC1 Q13547 5/20 0.78
▸ HDAC2 Q92769 4/20 0.78
▸ HDAC8 Q9BY41 3/20 0.78
▸ HDAC6 Q9UBN7 3/20 0.78
▸ HDAC4 P56524 2/20 0.56
▸ HDAC7 Q8WUI4 2/20 0.56
▸ HDAC10 Q969S8 2/20 0.56
▸ HDAC11 Q96DB2 2/20 0.56
▸ HDAC9 Q9UKV0 2/20 0.56
▸ HDAC5 Q9UQL6 2/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ EPHA2 P29317 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL31734120 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18064956 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27681896 0.87 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27701331 0.85 MCL1 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27701329 0.79 SMN1; SMN2 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2408087 0.75 HDAC1 (0.70) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1937951 0.74 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30763162 0.73 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21595522 0.73 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30416073 0.72 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6

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
CN-101087601-A Compounds for inhibiting copper-containing amine oxidases and uses thereof GENMEDICA THERAPEUTICS SL (ES) 2007-12-12 — — CN disclosed
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