SCHEMBL14756331

SCHEMBL14756331

Bc1ccc2nc(CCNC)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE10A Q9Y233 7/20 0.32
ATM Q13315 1/20 0.32
GRM1 Q13255 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 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
SCHEMBL14756313 0.89 HRH3 (0.39) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL14756195 0.81 BACE1 (0.46) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL14756332 0.78 PLAU (0.36) HRH3LMNACHRM2PDE10AGRM1
SCHEMBL14037347 0.78 TERT (0.36) LMNAALOX15PDE10AGRM1CYP1A2
SCHEMBL15985138 0.77 HRH3 (0.35) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL9688391 0.76 PDE10A (0.50) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL15985340 0.75 MAPT (0.46) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL14216636 0.74 KCNH2 (0.50) ALDH1A1NOS1PDE10AMAPT
SCHEMBL14756197 0.72 TAAR1 (0.46) HRH3TAAR1LMNAALOX15ALDH1A1
SCHEMBL14756314 0.71 MAPT (0.45) TAAR1LMNAALOX15ALDH1A1NOS1

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