SCHEMBL21730837

SCHEMBL21730837

Cc1cccc2c1-c1cccc(I)c1C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
MYC P01106 1/20 0.33
CD44 P16070 1/20 0.33
C1R P00736 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.31
DPP4 P27487 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL30892165 0.86 TYMS (0.31)
SCHEMBL1589873 0.84 PDK2 (0.44) PDK2CA1CA2CA7CA9
SCHEMBL19954012 0.81 CD44 (0.35) PDK2CA1CA2CA7CA9
SCHEMBL19113478 0.79 PDK2 (0.56) PDK2CA1CA2CA7CA9
SCHEMBL29850726 0.76 PGR (0.37) PDK2HTR2B
SCHEMBL660420 0.76 PGR (0.37) PDK2HTR2B
SCHEMBL18818727 0.76 DAO (0.34) PDK2CA1CA2CA7CA9
SCHEMBL1031388 0.75 PDK2 (0.43) PDK2CA1CA2CA7CA9
SCHEMBL29466012 0.73 HTR2A (0.38) PDK2HTR2B
SCHEMBL18466445 0.73 HTR2A (0.38) PDK2HTR2B

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
EP-3763750-B1 POLYMER, MONOMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2023-07-19 EP disclosed
WO-2020036459-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed