SCHEMBL14756243

SCHEMBL14756243

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.51
PKM P14618 2/20 0.51
POLB P06746 1/20 0.51
HCAR3 P49019 2/20 0.46
PRSS1 P07477 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL15984907 0.81 KAT2B (0.97) KAT2BSMN1; SMN2MAPTPKMPOLB
SCHEMBL14756009 0.81 KAT2B (0.69) KAT2BSMN1; SMN2MAPTPKMPOLB
Hydrochloric Acid SCHEMBL513299 0.80 KAT2B (1.00) KAT2BMAPTPKMPOLBHCAR3
SCHEMBL15984906 0.79 KAT2B (0.74) KAT2BSMN1; SMN2MAPTPKMPOLB
SCHEMBL5983182 0.79 KAT2B (0.69) KAT2BSMN1; SMN2MAPTPKMPOLB
SCHEMBL15984903 0.72 KAT2B (0.79) KAT2BSMN1; SMN2MAPTPKMPOLB
SCHEMBL14756010 0.71 KAT2B (0.70) KAT2BSMN1; SMN2MAPTPKMPOLB
SCHEMBL14754095 0.71 KAT2B (0.59) KAT2BSMN1; SMN2MAPTHCAR3ALDH1A1
SCHEMBL22456033 0.71 KAT2B (0.61) KAT2BSMN1; SMN2MAPTPKMHCAR3
SCHEMBL1957469 0.70 SMN1; SMN2 (1.00) KAT2BSMN1; SMN2MAPTPKMPOLB

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
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed