SCHEMBL16488360

SCHEMBL16488360

CCCCCCOc1ccc(N2c3ccccc3Sc3cc(-c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)s5)o4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.41
▸ THRB P10828 3/20 0.38
▸ TP53 P04637 4/20 0.37
▸ MAPT P10636 6/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RARB P10826 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
SCHEMBL16488378 0.87 PDF (0.38) THRBTP53MAPTMEN1KMT2A
SCHEMBL16488384 0.87 PTGES (0.42) PTGESRECQLSMN1; SMN2BCHE
SCHEMBL16488358 0.80 PTGES (0.38) PTGESTP53MAPTMEN1KMT2A
SCHEMBL16488368 0.78 PTGES (0.42) PTGESRECQLSMN1; SMN2
SCHEMBL16488382 0.73 PTGES (0.37) PTGESTP53MAPTRECQLSMN1; SMN2
SCHEMBL16488385 0.72 TP53 (0.41) PTGESTHRBTP53MAPTRARB
SCHEMBL16488357 0.72 PDF (0.43) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15859196 0.71 MAPT (0.56) PTGESTP53MAPTHTTRARB
SCHEMBL15859194 0.71 MAPT (0.56) PTGESTP53MAPTHTTRARB
SCHEMBL29505886 0.70 MAPT (0.46) PTGESTP53MAPT

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
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