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SCHEMBL14337235

SCHEMBL14337235

c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3cc(-c4cc(-c5c6ccccc6c(N(c6ccccc6)c6ccccc6)c6ccccc56)cc(-c5c6ccccc6c(N(c6ccccc6)c6ccccc6)c6ccccc56)c4)cc(-c4c5ccccc5c(N(c5ccccc5)c5ccccc5)c5ccccc45)c3)c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ ACHE P22303 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
SCHEMBL13222609 0.98 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL14181761 0.96 KDM4E (0.32) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL14577423 0.91 ALOX5 (0.41) ALDH1A1KDM4ECYP1A2MAPTCYP2C19
SCHEMBL13222603 0.89 ALOX5 (0.42) ALDH1A1KDM4ECYP1A2MAPTCYP2C19
SCHEMBL1753829 0.89 ACHE (0.33) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL10128623 0.88 ACHE (0.39) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL1264238 0.88 ACHE (0.41) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL29512028 0.85 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL132322 0.85 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL13222601 0.85 ACHE (0.37) ALDH1A1KDM4EMAPTCYP2C19L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309533-B2 Substituted anthryl derivative and electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2007-12-18 — — US disclosed
US-7309533-B2 Substituted anthryl derivative and electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2007-12-18 — — US disclosed
US-7173131-B2 Anthryl derivative group substituted compound, and organic luminescent device making use of same CANON KABUSHIKI KAISHA (JP) 2007-02-06 — — US disclosed
US-7173131-B2 Anthryl derivative group substituted compound, and organic luminescent device making use of same CANON KABUSHIKI KAISHA (JP) 2007-02-06 — — US disclosed