SCHEMBL21234652

SCHEMBL21234652

c1ccc(-c2cccc(Nc3cccc(Nc4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
AR P10275 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.43
PTGIR P43119 1/20 0.43
GPR3 P46089 1/20 0.42
PIM3 Q86V86 1/20 0.41
TDO2 P48775 1/20 0.40
IDO1 P14902 3/20 0.40
MGLL Q99685 1/20 0.39
LIMK1 P53667 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
RIPK2 O43353 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL23764958 0.95 PTGIR (0.45) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL17740739 0.95 PTGIR (0.45) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL23765141 0.95 PTGIR (0.45) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL19801868 0.95 MAPT (0.46) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL17382558 0.94 PTGIR (0.44) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL17742398 0.92 PTGIR (0.50) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL17465473 0.89 GPR3 (0.44) MAPTALDH1A1EPHX2PTGIRGPR3
SCHEMBL27383568 0.89 ALDH1A1 (0.45) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL21234331 0.89 IDO1 (0.44) MAPTALDH1A1MEN1ARKMT2A
SCHEMBL14902267 0.89 GPR3 (0.47) MAPTALDH1A1MEN1ARKMT2A

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