SCHEMBL12866249

SCHEMBL12866249

CCCCCCCCN1/C(=C/C2=C(Cl)/C(=C/c3ccc(O)c(OC=O)c3)CCC2)C(C)(C)c2cc(OC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
JUN P05412 1/20 0.36
MME P08473 1/20 0.36
NFKB1 P19838 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MIF P14174 2/20 0.34
CES2 O00748 2/20 0.34
SCN9A Q15858 1/20 0.33
EGFR P00533 2/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL12866277 0.91 EGFR (0.40) MEN1KMT2AJUNMMENFKB1
SCHEMBL12866045 0.70 MEN1 (0.34) MEN1KMT2AJUNMMENFKB1
SCHEMBL12881946 0.69 EGFR (0.33) EGFRGAACXCL12
SCHEMBL15235539 0.66 EGFR (0.45) MEN1KMT2AJUNMMENFKB1
SCHEMBL17974087 0.66 PRMT1 (0.43) EGFR
SCHEMBL17974075 0.65 PRMT1 (0.44) EGFR
SCHEMBL12866232 0.63 PRMT1 (0.51) MAPT
SCHEMBL10643897 0.63 SCN9A (0.43) MEN1KMT2ASCN9AKDM4EHDAC2
SCHEMBL19746778 0.63 SCN9A (0.43) MEN1KMT2ASCN9AKDM4EHDAC2
SCHEMBL12713670 0.62 FOLH1 (0.48) EGFR

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-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-20110030801-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20110031446-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed