SCHEMBL23176993

SCHEMBL23176993

Cc1ccc(-c2ccc(I)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
APP P05067 1/20 0.39
PDE10A Q9Y233 3/20 0.37
PTGS2 P35354 2/20 0.37
METAP2 P50579 1/20 0.36
IDO1 P14902 1/20 0.36
MAPK1 P28482 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ADRA2A P08913 2/20 0.35

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
SCHEMBL17051516 0.88 HPGDS (0.54) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL676678 0.85 HPGDS (0.56) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17051529 0.81 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13231657 0.81 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2757249 0.81 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3403753 0.80
SCHEMBL23474083 0.79 HPGDS (0.41) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL538283 0.79 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12359218 0.79 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4582256 0.79 HPGDS (0.47) HPGDSPIK3CDPIK3CAPIK3CBPI4KA

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-2021058761-A1 FIRST AND SECOND ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2021-04-01 WO disclosed