SCHEMBL20068474

SCHEMBL20068474

c1ccc2c(c1)sc1cc3c(cc12)c1cccc2c4ccccc4n3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL21453773 0.98 GPR3 (0.42) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21869981 0.95 GPR3 (0.48) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21453652 0.94 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21453476 0.92 GPR3 (0.42) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21717880 0.89 GPR3 (0.48) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21453651 0.88 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17995049 0.88 MAPT (0.36) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21454058 0.87 GPR3 (0.38) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21453519 0.87 ALDH1A1 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23728395 0.86 KDM4E (0.36) GPR3ALDH1A1MAPTHPGDRAB9A

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed