SCHEMBL12435097

SCHEMBL12435097

CC(C)(O)c1ccccc1Nc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.40
▸ GNG2 P59768 1/20 0.34
▸ GNB1 P62873 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ P2RY1 P47900 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ TAS2R14 Q9NYV8 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL31918 0.81 PGR (0.42) PGRGNG2GNB1MEN1ALDH1A1
SCHEMBL26574678 0.81 PGR (0.53) PGRGNG2GNB1PTGS1PTGS2
SCHEMBL29945219 0.81 PGR (0.53) PGRGNG2GNB1PTGS1PTGS2
SCHEMBL12435103 0.78 MAPT (0.51) PGRPTGS1PTGS2MEN1ALDH1A1
SCHEMBL12109361 0.78 PDK2 (0.39) PGRPTGS1PTGS2P2RY1TAS2R14
SCHEMBL18287261 0.78 WEE1 (0.32) P2RY1MEN1KMT2A
SCHEMBL16892754 0.77 PDK2 (0.42) PTGS1PTGS2TAS2R14PDK2
SCHEMBL30631793 0.77 PDK2 (0.42) PTGS1PTGS2TAS2R14PDK2
SCHEMBL23637326 0.76 PGR (0.46) PGRGNG2GNB1MEN1ALDH1A1
SCHEMBL12109295 0.76 PDK2 (0.37) PTGS1PTGS2TAS2R14PDK2

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-2011093609-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-04 — — WO disclosed
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