SCHEMBL19850175

SCHEMBL19850175

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2)C3O)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ CFTR P13569 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
SCHEMBL19850174 0.97 FFAR2 (0.36) FFAR2PTGESMCHR1PTPN5XDH
SCHEMBL19850147 0.96 KMT2A (0.33) FFAR2PTGESALDH1A1TSPOKMT2A
SCHEMBL24282901 0.92 FFAR2 (0.36) FFAR2PTGESMCHR1PTPN5XDH
SCHEMBL19842591 0.92 FASN (0.35) FFAR2PTGESALDH1A1KMT2A
SCHEMBL19843273 0.92 BACE1 (0.35) BACE1
SCHEMBL19850088 0.92 KMT2A (0.36) ALDH1A1TSPOKMT2A
SCHEMBL19850280 0.91 G6PD (0.33) PTGESALDH1A1KMT2A
SCHEMBL24283023 0.90 FFAR2 (0.35) FFAR2PTGESMCHR1PTPN5XDH
SCHEMBL19850278 0.90 FASN (0.34) PTGESALDH1A1TSPOKMT2A
SCHEMBL19850176 0.90 PDK2 (0.34) FFAR2PTPN5XDHSLC22A12BACE1

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-3494112-B1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-04-20 — — EP disclosed
WO-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
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