SCHEMBL29945219

SCHEMBL29945219

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(Nc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.53
▸ GNG2 P59768 1/20 0.44
▸ GNB1 P62873 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ AR P10275 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL26574678 1.00 PGR (0.53) PGRGNG2GNB1NPSR1MARK3
SCHEMBL24027645 0.91 PGR (0.47) PGRGNG2GNB1NPSR1MARK3
SCHEMBL15046204 0.90 PGR (0.46) PGRGNG2GNB1NPSR1MARK3
SCHEMBL23637326 0.89 PGR (0.46) PGRGNG2GNB1MARK3PDK2
SCHEMBL15046213 0.87 PGR (0.43) PGRGNG2GNB1NPSR1MARK3
SCHEMBL30920029 0.86 HSP90AA1 (0.43) PGRGNG2GNB1MARK3HSP90AA1
SCHEMBL15046206 0.85 PGR (0.41) PGRGNG2GNB1NPSR1MARK3
SCHEMBL31918 0.84 PGR (0.42) PGRGNG2GNB1ALDH1A1MEN1
SCHEMBL15046331 0.84 PGR (0.40) PGRGNG2GNB1NPSR1MARK3
SCHEMBL15046285 0.84 PGR (0.40) PGRGNG2GNB1NPSR1MARK3

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-113366002-B Compound and organic light emitting device including the same 株式会社LG化学 2022-09-27 — — CN disclosed
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