SCHEMBL2623344

SCHEMBL2623344

[3H]c1cccc(N(c2ccc(Oc3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc([3H])c4)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.37
SCN9A Q15858 4/20 0.33
NTRK1 P04629 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
MAPT P10636 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2623276 0.89 KDM4E (0.41) KDM4EATML3MBTL1PTPN1SCN9A
SCHEMBL25904367 0.87 KDM4E (0.53) KDM4EATML3MBTL1PTPN1SCN9A
SCHEMBL2623258 0.80 ALDH1A1 (0.43) KDM4EATML3MBTL1MAPTLMNA
SCHEMBL2623354 0.80 ALDH1A1 (0.43) KDM4EATML3MBTL1MAPTLMNA
SCHEMBL17404430 0.80 L3MBTL1 (0.65) KDM4EATML3MBTL1PTPN1MAPT
SCHEMBL2623342 0.80 ALDH1A1 (0.43) KDM4EATML3MBTL1MAPTLMNA
SCHEMBL31331662 0.80 L3MBTL1 (0.65) KDM4EATML3MBTL1PTPN1MAPT
SCHEMBL9940533 0.80 L3MBTL1 (0.65) KDM4EATML3MBTL1PTPN1MAPT
SCHEMBL6123922 0.80 L3MBTL1 (0.65) KDM4EATML3MBTL1PTPN1MAPT
SCHEMBL2623341 0.80 ALDH1A1 (0.43) KDM4EATML3MBTL1MAPTLMNA

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
US-20120091443-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 US disclosed