SCHEMBL30709019

SCHEMBL30709019

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.49
▸ PDK2 Q15119 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ AR P10275 1/20 0.40

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
SCHEMBL15763532 1.00 PGR (0.49) PGRPDK2KDM4EALDH1A1GAA
SCHEMBL30709050 0.90 PGR (0.51) PGRPDK2AR
SCHEMBL15763534 0.87 PGR (0.46) PGRPDK2KDM4EALDH1A1GAA
SCHEMBL18914750 0.85 PGR (0.53) PGRPDK2AR
SCHEMBL26506713 0.84 PDK2 (0.51) PGRPDK2
SCHEMBL22106386 0.84 PDK2 (0.42) PDK2
SCHEMBL30553110 0.83 PGR (0.42) PGRPDK2
SCHEMBL27193175 0.83 PGR (0.42) PGRPDK2
SCHEMBL21922497 0.82 PDK2 (0.39) PGRPDK2AR
SCHEMBL24570201 0.82 PGR (0.60) PGRPDK2TDP2

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
CN-116903548-A Compound, composition for organic electroluminescent device, and display device SK株式会社 2023-10-20 — — CN disclosed
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