SCHEMBL23816347

SCHEMBL23816347

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6c7ccccc7sc6c5c4)c4oc5ccccc5c34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ CDC14B O60729 2/20 0.34
▸ CDC14A Q9UNH5 2/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ MAPT P10636 6/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 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
SCHEMBL23816361 0.94 ALOX5 (0.35) ALOX5CDC14BCDC14APRKDCMAPT
SCHEMBL23819370 0.91 ALOX5 (0.39) ALOX5PRKDCMAPTESR2ALDH1A1
SCHEMBL23821564 0.89 CYP1A1 (0.32) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL25458008 0.88 ALOX5 (0.45) ALOX5CDC14BCDC14APRKDCMAPT
SCHEMBL23816368 0.87 PRKDC (0.37) ALOX5CDC14BCDC14APRKDCMAPT
SCHEMBL23816370 0.87 MAPT (0.37) ALOX5CDC14BCDC14APRKDCMAPT
SCHEMBL17252965 0.87 CDC14B (0.36) ALOX5CDC14BCDC14AMAPTALDH1A1
SCHEMBL23816643 0.87 ALOX5 (0.40) ALOX5CDC14BCDC14APRKDCALDH1A1
SCHEMBL23816349 0.87 CDC14B (0.34) ALOX5CDC14BCDC14AMAPTESR2
SCHEMBL22375929 0.86 ALOX5 (0.35) ALOX5CDC14BCDC14AMAPTALDH1A1

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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