SCHEMBL7704614

SCHEMBL7704614

CN(CCOC1CCCCO1)c1cc(NC(=O)O)c(N)cc1C#Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.37
HDAC1 Q13547 8/20 0.37
HDAC3 O15379 7/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GCK P35557 1/20 0.32
ACACB O00763 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL7139709 0.92 HDAC1 (0.36) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL7148407 0.80 ADRA2A (0.33) MEN1KMT2AL3MBTL1
SCHEMBL7139872 0.75 HDAC1 (0.39) HDAC2HDAC1HDAC3CREBBP
SCHEMBL7698739 0.75 CREBBP (0.37) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL7142689 0.71 KDM4D (0.33)
SCHEMBL7143646 0.70 MEN1 (0.38) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL7139841 0.68 HDAC3 (0.38) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL7700560 0.65 CREBBP (0.37) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL7145150 0.64 ADRA2A (0.35) MEN1KMT2AL3MBTL1CREBBP
SCHEMBL7141349 0.63 HDAC1 (0.45) HDAC2HDAC1HDAC3

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
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed