SCHEMBL11034063

SCHEMBL11034063

C=CCc1ccccc1Nc1ccc(Nc2ccccc2CC=C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1702787 0.94 ADRA2B (0.41) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL30729429 0.94 MAPT (0.45) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL6046931 0.94 MAPT (0.45) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL7757717 0.93 ADRA2B (0.40) ADRA2BADRA2CGABRA1GABRB2MAPT
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL11874052 0.91 ALDH1A1 (0.46) ADRA2BADRA2CGABRA1GABRB2MAPT
Ammonia Solution, Strong SCHEMBL20481810 0.90 MAPT (0.51) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL176287 0.90 ADRA2C (0.47) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL1173024 0.85 ALDH1A1 (0.47) ADRA2BADRA2CMAPTMEN1KMT2A
SCHEMBL9423214 0.81 ADRA2B (0.36) ADRA2BADRA2CGABRA1GABRB2MAPT
SCHEMBL31530697 0.80 MEN1 (0.48) ADRA2BADRA2CGABRA1GABRB2MAPT

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
US-4530995-A Comminuting in an anhydrous solvent; slurrying with stabilizer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-07-23 US disclosed
US-4405532-A SLURRY WITH NONAQUEOUS ORGANIC LIQUID THE FIRESTONE TIRE & RUBBER COMPANY (US) 1983-09-20 US disclosed