SCHEMBL21766549

SCHEMBL21766549

Fc1ccc(Nc2cccc3c2oc2ccccc23)c(-c2ccc(S(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.41
ALOX5 P09917 2/20 0.37
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33

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
SCHEMBL21766578 0.85 ALOX5 (0.37) PTGES2ALOX5MEN1KMT2AGABRP
SCHEMBL21766547 0.81 PTGES2 (0.52) PTGES2ALOX5MEN1KMT2AGABRP
SCHEMBL16185358 0.80 ALOX5 (0.44) PTGES2ALOX5MEN1KMT2AGABRP
SCHEMBL4080117 0.76 ALOX5 (0.46) PTGES2ALOX5MEN1KMT2AGABRP
SCHEMBL20794947 0.74 ALOX5 (0.40) PTGES2ALOX5GABRPGABRDGABRA1
SCHEMBL23683094 0.73 KMT2A (0.38) PTGES2ALOX5MEN1KMT2AALDH1A1
SCHEMBL24742126 0.73 ALOX5 (0.41) PTGES2ALOX5MEN1KMT2AGABRP
SCHEMBL23438979 0.73 ALDH1A1 (0.40) PTGES2ALOX5MEN1KMT2AALDH1A1
SCHEMBL4090310 0.73 TNKS (0.39) PTGES2ALOX5MEN1KMT2ATNKS
SCHEMBL31069399 0.73 ALDH1A1 (0.40) PTGES2ALOX5MEN1KMT2AALDH1A1

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
WO-2020040585-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2020-02-27 WO disclosed