SCHEMBL25523671

SCHEMBL25523671

C=Cc1c(CC)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
CNR1 P21554 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
GPR3 P46089 1/20 0.41
PTPN1 P18031 2/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL24947646 0.85 CNR2 (0.39) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL23303025 0.84 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL23626338 0.84 CNR2 (0.42) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL21415340 0.81 CNR2 (0.40) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL20941925 0.77 GPR3 (0.44) GPR3ATML3MBTL1CYP2D6HTR2A
SCHEMBL2388976 0.75 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL13637910 0.75 GPR3 (0.46) LOXL2GPR3L3MBTL1KDM4EMEN1
SCHEMBL14045624 0.75 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL19917010 0.74
SCHEMBL22810223 0.73 CNR2 (0.45) CNR2CNR1LOXL2GPR3PTPN1

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-2023096072-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG Display Co.,Ltd. (KR) 2023-06-01 WO disclosed