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Sugi Predict / Compounds / SCHEMBL13821963

SCHEMBL13821963

SCHEMBL13821963

C1=CCCC(N(c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21236751 0.96 SIGMAR1 (0.38) SIGMAR1ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL10029773 0.95 SIGMAR1 (0.34) SIGMAR1
SCHEMBL18872362 0.95 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13190815 0.94 SIGMAR1 (0.33) SIGMAR1
SCHEMBL16775507 0.94 SIGMAR1 (0.35) SIGMAR1
SCHEMBL13777132 0.89 SIGMAR1 (0.30) SIGMAR1
SCHEMBL18900780 0.88 SIGMAR1 (0.34) SIGMAR1ALDH1A1CYP1A2
SCHEMBL12700581 0.88 ALDH1A1 (0.36) SIGMAR1ALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL20749547 0.88 SIGMAR1 (0.32) SIGMAR1
SCHEMBL27345129 0.88 SIGMAR1 (0.30) SIGMAR1

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
EP-2066150-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-03 — — EP disclosed