SCHEMBL25584930

SCHEMBL25584930

Clc1nc(Cl)nc(-c2cccc3oc4c(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cccc4c23)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.37
▸ PRKDC P78527 5/20 0.34
▸ PIK3CD O00329 4/20 0.34
▸ PIK3CB P42338 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ ALOX5 P09917 2/20 0.32
▸ MAPT P10636 3/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CTRC Q99895 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ BRDT Q58F21 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 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
SCHEMBL25586445 0.90 LIMK1 (0.32) LIMK1PRKDCPIK3CDPIK3CBALOX5
SCHEMBL25458968 0.87 LIMK1 (0.38) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL22403406 0.85 LIMK1 (0.39) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL22403551 0.83 LIMK1 (0.40) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL21425446 0.83 MAPT (0.39) PRKDCPIK3CDPIK3CBKDM4EPOLB
SCHEMBL29633032 0.83 MAPT (0.39) PRKDCPIK3CDPIK3CBKDM4EPOLB
SCHEMBL22403409 0.83 LIMK1 (0.38) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL22403303 0.83 LIMK1 (0.38) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL22403420 0.83 MAPT (0.36) LIMK1PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL23299579 0.83 LIMK1 (0.47) LIMK1KDM4EPOLBCTDSP1ALOX5

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-2023099430-A1 TRIPHENYLENE-TRIAZINE-DIBENZOFURAN/DIBENZOTHIOPHENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-08 — — WO disclosed
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