SCHEMBL12443246

SCHEMBL12443246

OB(O)c1ccc(-n2c3ccccc3c3ccsc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ FABP3 P05413 1/20 0.31
▸ FABP2 P12104 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ ALDH1A1 P00352 2/20 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
SCHEMBL22924443 0.82 L3MBTL1 (0.61) KDM4EATML3MBTL1POLBFABP3
SCHEMBL262197 0.82 KDM4E (0.59) KDM4EATML3MBTL1CA1CA2
SCHEMBL29952417 0.82 KDM4E (0.59) KDM4EATML3MBTL1CA1CA2
SCHEMBL29375327 0.82 KDM4E (0.59) KDM4EATML3MBTL1CA1CA2
SCHEMBL12443243 0.80 KDM4E (0.44) KDM4EATML3MBTL1POLBPTPN1
SCHEMBL12014934 0.78 CA1 (0.53) KDM4EATML3MBTL1CA1CA2
SCHEMBL28448096 0.76 KDM4E (0.52) KDM4EATML3MBTL1CA1CA2
SCHEMBL17885353 0.75 KDM4E (0.50) KDM4EATML3MBTL1CA1CA2
SCHEMBL16689548 0.75 KDM4E (0.50) KDM4EATML3MBTL1CA1CA2
SCHEMBL28595803 0.74 KDM4E (0.58) KDM4EATML3MBTL1CA1CA2

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-2011099718-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-18 — — WO disclosed
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