SCHEMBL22745271

SCHEMBL22745271

CCN(CC)C(CC)(Cc1ccccc1)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(CC)(Cc4ccccc4)N(CC)CC)cc3)c3ccccc3-c3ccc(C(=O)c4ccccc4C)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SRD5A2 P31213 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
SCHEMBL22745183 0.90 PDK2 (0.40) PDK2
SCHEMBL22745414 0.89 PDK2 (0.34) PDK2
SCHEMBL22745417 0.87 PDK2 (0.37) PDK2
SCHEMBL22745257 0.86 PDK2 (0.39) PDK2ALDH1A1
SCHEMBL23567105 0.83 KCNQ2 (0.35) PDK2TSHRMAPK1ALDH1A1
SCHEMBL23567581 0.82 PDK2 (0.35) PDK2MAPK1ALDH1A1
SCHEMBL22745272 0.82 PDK2 (0.43) PDK2
SCHEMBL22745256 0.80 MAPK13 (0.38) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL23567584 0.79 ELANE (0.34) PDK2MAPK1ALDH1A1
SCHEMBL22745164 0.78 PDK2 (0.33) PDK2

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-2020238862-A1 FLUORENE INITIATOR, PHOTOCURABLE COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 常州强力先端电子材料有限公司 2020-12-03 — — WO disclosed
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