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Sugi Predict / Compounds / SCHEMBL13658658

SCHEMBL13658658

SCHEMBL13658658

c1ccc(CC2(Cc3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PGR P06401 3/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL21086732 0.96 PDK2 (0.41) PDK2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14438459 0.93 PDK2 (0.43) PDK2KDM4EALDH1A1CYP2C19TDP1
SCHEMBL11968687 0.93 PDK2 (0.43) PDK2KDM4EALDH1A1CYP2C19TDP1
SCHEMBL14001332 0.91 PDK2 (0.41) PDK2KDM4EALDH1A1CYP2C19PGR
SCHEMBL13937824 0.89 ALDH1A1 (0.38) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13561471 0.88 PDK2 (0.40) PDK2KDM4EALDH1A1CYP2C19PGR
SCHEMBL14174432 0.88 PDK2 (0.40) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3438734 0.86 PDK2 (0.38) PDK2KDM4EALDH1A1CYP2C19PGR
SCHEMBL13382636 0.86 PDK2 (0.41) PDK2PGR
SCHEMBL11932119 0.85 PDK2 (0.35) PDK2KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090261711-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-22 — — US disclosed
US-20090261711-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-22 — — US disclosed
US-7510781-B2 Spiro compound and organic luminescence device using the same CANON KABUSHIKI KAISHA (JP) 2009-03-31 — — US disclosed
US-7510781-B2 Spiro compound and organic luminescence device using the same CANON KABUSHIKI KAISHA (JP) 2009-03-31 — — US disclosed
US-20090058270-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-05 — — US disclosed
US-20090058270-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-05 — — US disclosed
EP-1926159-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 2008-05-28 — — EP disclosed
US-7338721-B2 Condensed polycyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2008-03-04 — — US disclosed
US-7338721-B2 Condensed polycyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2008-03-04 — — US disclosed
US-7241513-B2 Fluorene compound and organic luminescent device using the same CANON KABUSHIKI KAISHA (JP) 2007-07-10 — — US disclosed
US-7241513-B2 Fluorene compound and organic luminescent device using the same CANON KABUSHIKI KAISHA (JP) 2007-07-10 — — US disclosed
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