SCHEMBL21428331

SCHEMBL21428331

Brc1ccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
PTPN22 Q9Y2R2 2/20 0.45
PTPN1 P18031 2/20 0.45
EPM2A O95278 1/20 0.45
PTPN2 P17706 1/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL25905297 0.95 MAPT (0.47) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL19303903 0.93 MAPT (0.49) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL17383108 0.93 GPR3 (0.52) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL29601781 0.93 GPR3 (0.52) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL10043795 0.93 GPR3 (0.52) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL31143927 0.93 GPR3 (0.52) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL29536667 0.92 GPR3 (0.61) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL26685 0.92 GPR3 (0.61) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL24363221 0.91 PTPN1 (0.44) GPR3PTPN22PTPN1EPM2APTPN2
SCHEMBL25655317 0.90 CYP2A6 (0.46) GPR3PTPN22PTPN1EPM2APTPN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099430-A1 TRIPHENYLENE-TRIAZINE-DIBENZOFURAN/DIBENZOTHIOPHENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-08 WO disclosed
WO-2019190271-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2019-10-03 WO disclosed