SCHEMBL23933936

SCHEMBL23933936

CC(C)(C)c1ccccc1-c1nc2ccccc2n1-c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.51
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.40
CNR2 P34972 2/20 0.40
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HCAR1 Q9BXC0 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
NTRK1 P04629 1/20 0.37
ALOX5 P09917 1/20 0.37
IDO1 P14902 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK8 P45983 1/20 0.37
TDO2 P48775 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL23465972 0.80 GSR (0.51) GSRRAB9ATSHRCNR2HTT
SCHEMBL28694909 0.79 GSR (0.50) GSRRAB9ATSHRHTTALDH1A1
SCHEMBL29466052 0.79 GSR (0.50) GSRRAB9ATSHRHTTALDH1A1
SCHEMBL29466045 0.79 GSR (0.50) GSRRAB9ATSHRCNR2HTT
SCHEMBL28714311 0.79 GSR (0.50) GSRRAB9ATSHRCNR2HTT
SCHEMBL25878270 0.78 CNR2 (0.54) GSRTSHRCNR2HTTALDH1A1
SCHEMBL20383920 0.77 GSR (0.48) GSRRAB9ATSHRHTTALDH1A1
SCHEMBL12914311 0.77 RAB9A (0.49) GSRRAB9ATSHRHTTALDH1A1
SCHEMBL12130058 0.76 GSR (0.55) GSRRAB9ATSHRCNR2HTT
SCHEMBL28382155 0.76 GSR (0.55) GSRTSHRHTTALDH1A1LMNA

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
EP-3492480-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-10-20 EP disclosed