SCHEMBL23765141

SCHEMBL23765141

c1ccc(-c2ccc(-c3cccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
AR P10275 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
IDO1 P14902 1/20 0.42
GPR3 P46089 1/20 0.41
RIPK2 O43353 2/20 0.40
RIPK3 Q9Y572 1/20 0.40
PIM3 Q86V86 1/20 0.40
TDO2 P48775 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 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 1.00 PTGIR (0.45) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL17740739 1.00 PTGIR (0.45) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL17382558 0.99 PTGIR (0.44) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL19801868 0.97 MAPT (0.46) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL21234652 0.95 MAPT (0.44) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL17742398 0.94 PTGIR (0.50) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL21742736 0.94 GPR3 (0.47) PTGIRALDH1A1MAPTEPHX2IDO1
SCHEMBL14902267 0.94 GPR3 (0.47) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL29839679 0.94 GPR3 (0.47) PTGIRALDH1A1MAPTMEN1AR
SCHEMBL14902261 0.94 GPR3 (0.47) PTGIRALDH1A1MAPTEPHX2IDO1

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-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 WO disclosed