SCHEMBL22650683

SCHEMBL22650683

Clc1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
MCL1 Q07820 2/20 0.39
DUSP3 P51452 1/20 0.39
BLM P54132 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL22880360 0.85 CYP1A2 (0.48) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL19239130 0.83 EPM2A (0.38) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL24589044 0.82 GPR3 (0.48) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL24589027 0.81 GPR3 (0.46) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL16985163 0.81 GPR3 (0.62) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL28572619 0.80 GPR3 (0.50) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL22650690 0.79 CYP2A6 (0.42) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL24588613 0.79 GPR3 (0.54) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL7226057 0.79 GPR3 (0.54) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL30800961 0.79 GPR3 (0.54) GPR3KDM4EALDH1A1MAPTHPGD

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed