SCHEMBL14756308

SCHEMBL14756308

Bc1cnc2ccc(CCNC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 7/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL14756200 0.82 TAAR1 (0.50) NOS1NOS2MAPTTP53CYP1A2
SCHEMBL14756334 0.80 TAAR1 (0.38) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL15985218 0.78 MAPT (0.43) NOS1NOS2MAPTTP53CYP1A2
SCHEMBL14756314 0.75 MAPT (0.45) NOS1NOS2MAPTTP53CYP1A2
SCHEMBL14756312 0.70 NOS1 (0.49) NOS1NOS2MAPTTP53CYP1A2
SCHEMBL24261121 0.70 ALDH1A1 (0.50) TP53CYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL14756104 0.69 TAAR1 (0.49) NOS1NOS2MAPTTP53CYP1A2
SCHEMBL15985406 0.69 MAPT (0.49) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL13875037 0.68 TAAR1 (0.61) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL15985420 0.68 MAPT (0.44) NOS1NOS2MAPTTP53CYP1A2

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