SCHEMBL16488362

SCHEMBL16488362

CCCCCCc1cc(/C=C/c2ccc(/C=C(\C#N)C(=O)O)s2)sc1/C=C/c1ccc2c(c1)Sc1ccccc1N2CCCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 2/20 0.37
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ MARK4 Q96L34 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GMNN O75496 1/20 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
SCHEMBL16488357 0.92 PDF (0.43) PDFPOLBTP53KDM4EMAPK1
SCHEMBL16488386 0.88 ALDH1A1 (0.33) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL16488358 0.87 PTGES (0.38) POLBTP53MAPTMEN1KMT2A
SCHEMBL12307087 0.79 POLB (0.38) POLBMAPTMEN1KMT2A
SCHEMBL16488383 0.79 ALDH1A1 (0.37) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL16488378 0.78 PDF (0.38) PDFPOLBTP53KDM4EMAPK1
SCHEMBL16488384 0.78 PTGES (0.42) SMN1; SMN2
SCHEMBL30249167 0.78 PDF (0.39) PDFPOLBTP53KDM4EMAPK1
SCHEMBL16556904 0.77 PDF (0.38) PDFPOLBTP53KDM4EMAPK1
SCHEMBL16488382 0.77 PTGES (0.37) POLBTP53MAPTSMN1; SMN2

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
EP-2838128-B1 Dye-sensitized solar cells and methods of making same HONEYWELL ROMANIA S R L (RO) 2016-01-06 — — EP disclosed
EP-2838128-A1 Dye-sensitized solar cells and methods of making same Honeywell Romania S.R.L. (RO) 2015-02-18 — — EP disclosed
Send feedback