SCHEMBL14756010

SCHEMBL14756010

CC(C)CCc1ccc(NCCCN)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.70
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PRSS1 P07477 4/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR3 P49019 1/20 0.44

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
SCHEMBL15984903 0.86 KAT2B (0.79) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL15984907 0.83 KAT2B (0.97) KAT2BPKMPOLBMAPTPRSS1
Hydrochloric Acid SCHEMBL513299 0.82 KAT2B (1.00) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL10113238 0.78 KAT2B (1.00) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL29416813 0.78 KAT2B (1.00) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL10113236 0.78 KAT2B (0.66) KAT2BPKMPOLBMAPTPRSS1
Hydrochloric Acid SCHEMBL513245 0.77 KAT2B (1.00) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL10622798 0.76 KAT2B (0.72) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL7451286 0.76 KAT2B (0.50) KAT2BPKMPOLBMAPTPRSS1
SCHEMBL29154963 0.75 KAT2B (0.58) KAT2BPKMPOLBMAPTPRSS1

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
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed