SCHEMBL23816349

SCHEMBL23816349

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)c4oc5ccccc5c34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 2/20 0.34
▸ CDC14A Q9UNH5 2/20 0.34
▸ MAPT P10636 8/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ TSHR P16473 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 5/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL23816509 0.94 CDC14B (0.34) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23822242 0.93 CDC14B (0.34) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23816406 0.93 CDC14B (0.34) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23816511 0.91 TDP1 (0.36) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23819614 0.91 ALOX5 (0.37) MAPTALOX5ALDH1A1TSHRPOLB
SCHEMBL17252965 0.90 CDC14B (0.36) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23816640 0.88 CDC14B (0.38) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23816639 0.88 S1PR5 (0.38) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23820697 0.88 ALDH1A1 (0.34) CDC14BCDC14AMAPTALOX5ALDH1A1
SCHEMBL23822337 0.88 ALOX5 (0.39) CDC14BCDC14AMAPTALOX5ALDH1A1

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-2021182834-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 — — WO disclosed
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