SCHEMBL14016790

SCHEMBL14016790

COc1ccc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccccc2)C4=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SCN2A Q99250 1/20 0.49
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ NR1H3 Q13133 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ NR1H2 P55055 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL14016764 0.82 ESR1 (0.48) ALDH1A1KDM4EGAAHPGDSCN2A
SCHEMBL14085582 0.80 KMT2A (0.49) ALDH1A1KDM4EGAAL3MBTL1KMT2A
SCHEMBL10013240 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ECYP1A2CYP3A4GAA
SCHEMBL13084672 0.78 MGLL (0.62) ALDH1A1KDM4ECYP1A2CYP3A4GAA
SCHEMBL12639210 0.76 ESR1 (0.66) ALDH1A1KDM4EKMT2AMEN1NR1H3
SCHEMBL5351919 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ECYP1A2CYP3A4GAA
SCHEMBL14110195 0.76 ESR1 (0.46) ALDH1A1KDM4EGAAHPGDSCN2A
SCHEMBL14044194 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EGAAL3MBTL1KMT2A
SCHEMBL18470146 0.76 MAPT (0.56) ALDH1A1KDM4EHPGDSCN2AKMT2A
SCHEMBL14016781 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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-7432029-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivatives and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 — — US disclosed
US-7432029-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivatives and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 — — US disclosed
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