SCHEMBL31918

SCHEMBL31918

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(Nc3ccccc3Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK14 Q16539 4/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ GNG2 P59768 1/20 0.36
▸ GNB1 P62873 1/20 0.36
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CXCL8 P10145 1/20 0.32

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 0.84 PGR (0.53) PGRALDH1A1HTTL3MBTL1GNG2
SCHEMBL29945219 0.84 PGR (0.53) PGRALDH1A1HTTL3MBTL1GNG2
SCHEMBL12435097 0.81 PGR (0.40) PGRALDH1A1HTTGNG2GNB1
SCHEMBL23637326 0.80 PGR (0.46) PGRALDH1A1GNG2GNB1MEN1
SCHEMBL12435103 0.80 MAPT (0.51) PGRALDH1A1HTTMAPK10MAPT
SCHEMBL24027645 0.79 PGR (0.47) PGRALDH1A1HTTL3MBTL1GNG2
SCHEMBL796626 0.77 ITGB2 (0.43) PGRALDH1A1ITGB2ICAM1ITGAL
SCHEMBL1301290 0.77 PGR (0.38) PGRALDH1A1MAPK14GNG2GNB1
SCHEMBL15046204 0.76 PGR (0.46) PGRALDH1A1HTTL3MBTL1GNG2
SCHEMBL782160 0.76 MAPK14 (0.46) PGRALDH1A1HTTMAPK14MAPK8

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
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 — — WO disclosed
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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