SCHEMBL29634622

SCHEMBL29634622

Brc1ccc2c(c1)N(c1ccccc1)c1ccccc1N2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MGLL Q99685 3/20 0.37
GAA P10253 2/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.37
CYP2A6 P11509 1/20 0.37
HPGD P15428 1/20 0.36
ALDH2 P05091 2/20 0.36
ALDH3A1 P30838 2/20 0.36
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15470443 1.00 ALDH1A1 (0.37) ALDH1A1MGLLGAACES2BCHE
SCHEMBL18493730 0.98 MGLL (0.38) ALDH1A1MGLLGAACES2BCHE
SCHEMBL29368871 0.98 MGLL (0.38) ALDH1A1MGLLGAACES2BCHE
SCHEMBL12480884 0.89 IDO1 (0.35) ALDH1A1MGLLPGRCYP2A6ALDH2
SCHEMBL28720796 0.87 OPRK1 (0.49) ALDH1A1MGLLNPSR1PGRALDH2
SCHEMBL29557779 0.87 OPRK1 (0.49) ALDH1A1MGLLNPSR1PGRALDH2
SCHEMBL22961219 0.87 CYP2A6 (0.48) ALDH1A1MGLLPGRCYP2A6HPGD
SCHEMBL30215977 0.85 MGLL (0.46) ALDH1A1MGLLNPSR1CYP2A6HPGD
SCHEMBL15477957 0.85 MGLL (0.46) ALDH1A1MGLLGAACES2BCHE
SCHEMBL17006280 0.83 MGLL (0.55) ALDH1A1MGLLGAACES2BCHE

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
CN-109111411-B Light extraction layer material and application thereof 湖北尚赛光电材料有限公司 2022-06-14 CN disclosed