SCHEMBL11988552

SCHEMBL11988552

Cc1ccc(N2c3ccc(C=C(c4ccc(/C=C(\C#N)C(=O)O)cc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3Sc3cc(C=C(c4ccc(/C=C(\C#N)C(=O)O)cc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLC16A3 O15427 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
SLC16A1 P53985 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11988551 0.87 EGFR (0.44) EGFRERBB2KDM4ECISD1SLC16A3
SCHEMBL11988615 0.87 EGFR (0.44) EGFRERBB2KDM4ECISD1SLC16A3
SCHEMBL11988617 0.85 EGFR (0.43) EGFRERBB2KDM4ECISD1SLC16A3
SCHEMBL11988043 0.82 PTGS2 (0.36)
SCHEMBL8192034 0.81 PTGS2 (0.44) ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL11988612 0.78 EGFR (0.46) EGFRERBB2KDM4ECISD1SLC16A3
SCHEMBL29899003 0.77 EGFR (0.51) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL29276557 0.77 EGFR (0.54) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL11988560 0.75 CISD1 (0.51) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL11988533 0.75 CISD1 (0.51) EGFRKDM4ECISD1SLC16A3ALDH1A1

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-8247687-B2 Photoelectric conversion element and solar cell KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-08-21 US disclosed
US-20090250115-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-10-08 US disclosed