SCHEMBL17690180

SCHEMBL17690180

c1ccc(-c2ccc(Nc3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
LIMK1 P53667 1/20 0.39
F9 P00740 1/20 0.38
GPR3 P46089 1/20 0.38
EPHX2 P34913 1/20 0.37
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2B P41595 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP3K8 P41279 2/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL19849843 0.95 IDO1 (0.44) IDO1LIMK1F9GPR3ALOX5
SCHEMBL23821226 0.93 EPHX2 (0.39) IDO1LIMK1F9EPHX2ALOX5
SCHEMBL26006804 0.93 IDO1 (0.37) IDO1LIMK1F9GPR3ALOX5
SCHEMBL27383838 0.92 ALDH1A1 (0.40) IDO1LIMK1F9GPR3EPHX2
SCHEMBL21234647 0.91 ALDH1A1 (0.46) IDO1F9GPR3ALOX5TDP1
SCHEMBL28965024 0.91 GPR3 (0.46) LIMK1F9GPR3ALOX5TDP1
SCHEMBL26367002 0.90 MEN1 (0.41) IDO1LIMK1F9GPR3ALOX5
SCHEMBL25125258 0.90 LIMK1 (0.39) IDO1LIMK1F9ALOX5ALDH1A1
SCHEMBL23333674 0.88 EPHX2 (0.38) IDO1F9EPHX2ALOX5ALDH1A1
SCHEMBL22136328 0.88 MAP3K8 (0.38) IDO1LIMK1F9EPHX2ALOX5

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-2022255606-A1 COMPOUND FOR QUANTUM DOT LIGHT EMITTING ELEMENT, QUANTUM DOT LIGHT EMITTING ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-12-08 WO disclosed
EP-3010066-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-04-20 EP disclosed