SCHEMBL16483715

SCHEMBL16483715

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6cnccc6c6ncccc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.35
▸ CKS1B P61024 5/20 0.35
▸ SKP2 Q13309 5/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ GLO1 Q04760 2/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ MAPK14 Q16539 4/20 0.31
▸ IKBKE Q14164 2/20 0.31
▸ TBK1 Q9UHD2 2/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL16483482 0.92 TNF (0.38) TNFCKS1BSKP2CYP11B1CYP11B2
SCHEMBL16483169 0.91 COMT (0.35) CKS1BSKP2COMTGLO1ENPP1
SCHEMBL16484857 0.90 TNF (0.39) TNFDYRK1ACYP11B1CYP11B2MAPK14
SCHEMBL16484912 0.90 TNF (0.41) TNFDYRK1ACYP11B1CYP11B2ENPP1
SCHEMBL16483718 0.90 COMT (0.37) CKS1BSKP2COMTGLO1ENPP1
SCHEMBL16483555 0.87 TNF (0.36) TNFCKS1BSKP2DYRK1ACYP11B1
SCHEMBL16483713 0.87 COMT (0.34) CKS1BSKP2COMTGLO1ENPP1
SCHEMBL16483583 0.86 PDE4A (0.38) CKS1BSKP2COMTGLO1ENPP1
SCHEMBL16483433 0.86 TNF (0.40) TNFDYRK1ACYP11B1CYP11B2CDK4
SCHEMBL16483724 0.85 COMT (0.33) CKS1BSKP2COMTGLO1ENPP1

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-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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