SCHEMBL23487169

SCHEMBL23487169

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4sc6ccc7cccc8c9ccccc9n5c4c6c78)c3)n2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23487164 0.85 TSPO (0.31)
SCHEMBL23487170 0.85 TDP1 (0.35) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL26246285 0.83 HSD17B1 (0.32) ALDH1A1CYP1A2HSD17B10
SCHEMBL21453797 0.82 NPY5R (0.30) HSD17B10
SCHEMBL21454113 0.82 NPY5R (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL21454088 0.82 TSPO (0.31)
SCHEMBL23487194 0.81 KDM4E (0.32) LIMK1ALDH1A1HPGDHSD17B10
SCHEMBL21454071 0.81 TSPO (0.33) ALDH1A1HPGDHSD17B10
SCHEMBL26246279 0.81 HSD17B1 (0.30)
SCHEMBL23486938 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2THRBHPGDHSD17B10

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed