SCHEMBL24947646

SCHEMBL24947646

C=C/C=C\c1c(CC)sc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
GPR3 P46089 1/20 0.35
PTPN1 P18031 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
RAB9A P51151 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL25523671 0.85 CNR2 (0.43) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL23626338 0.83 CNR2 (0.42) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL21415340 0.81 CNR2 (0.40) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL19266766 0.79 GPR3 (0.39) GPR3L3MBTL1CYP2D6HTR2ARAB9A
SCHEMBL25730306 0.79 CYP1A1 (0.33) CNR2CNR1ATML3MBTL1RAB9A
SCHEMBL23303025 0.77 CNR2 (0.46) CNR2CNR1LOXL2GPR3PTPN1
SCHEMBL20341578 0.76 GPR3 (0.39) GPR3L3MBTL1RAB9ALMNAALDH1A1
SCHEMBL18511240 0.76 GPR3 (0.39) GPR3L3MBTL1RAB9ALMNAALDH1A1
SCHEMBL22403726 0.71 ALDH1A1 (0.39) GPR3L3MBTL1CYP2D6HTR2ARAB9A
SCHEMBL20219903 0.70 MEN1 (0.32) MAPTMEN1KMT2ATDP1

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-3523834-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed