SCHEMBL21709344

SCHEMBL21709344

c1ccc(-c2ccc(-n3c4cc(-c5ccc6c(c5)[nH]c5ccc7c8ccccc8sc7c56)ccc4c4c5sc6ccccc6c5ccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ TNKS2 Q9H2K2 3/20 0.35
▸ TNKS O95271 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 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
SCHEMBL21709114 0.89 TNKS (0.36) TNKS2TNKSKDM4EMEN1ALDH1A1
SCHEMBL16475551 0.87 TNKS (0.36) TNKS2TNKSKDM4EMEN1ALDH1A1
SCHEMBL15681383 0.86 ALDH1A1 (0.34) TNKS2TNKSMEN1ALDH1A1KMT2A
SCHEMBL24676110 0.86 KDM4E (0.40) TNKS2TNKSKDM4EALDH1A1HPGD
SCHEMBL24676601 0.86 KDM4E (0.40) TNKS2TNKSKDM4EALDH1A1HPGD
SCHEMBL24676626 0.86 KDM4E (0.40) TNKS2TNKSKDM4EALDH1A1HPGD
SCHEMBL14653419 0.86 CDK4 (0.51) CDK4CCND1TNKS2TNKSKDM4E
SCHEMBL17117700 0.86 CDK4 (0.51) CDK4CCND1TNKS2TNKSKDM4E
SCHEMBL15337951 0.85 KDM4E (0.38) CDK4CCND1TNKS2TNKSKDM4E
SCHEMBL24397725 0.85 TNKS (0.34) TNKS2TNKSALOX5

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-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 — — WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 — — WO disclosed
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