SCHEMBL21234331

SCHEMBL21234331

c1ccc(Nc2cc(Nc3ccccc3)cc(-c3ccc4sc5ccccc5c4c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
GPR3 P46089 1/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AR P10275 1/20 0.41
PTGIR P43119 1/20 0.41
CYP1A2 P05177 1/20 0.38
EPAS1 Q99814 1/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 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
SCHEMBL17465473 0.91 GPR3 (0.44) IDO1GPR3MAPTALDH1A1PTGIR
SCHEMBL21234608 0.91 PTGIR (0.50) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL19801868 0.91 MAPT (0.46) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL29839679 0.90 GPR3 (0.47) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL14902267 0.90 GPR3 (0.47) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL21234652 0.89 MAPT (0.44) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL23764958 0.88 PTGIR (0.45) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL21234622 0.88 PTGIR (0.48) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL17740739 0.88 PTGIR (0.45) IDO1GPR3MAPTALDH1A1MEN1
SCHEMBL23765141 0.88 PTGIR (0.45) IDO1GPR3MAPTALDH1A1MEN1

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-2019151697-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-08-08 WO disclosed