SCHEMBL29152913

SCHEMBL29152913

CCCC(=O)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.47
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
ALOX5 P09917 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 2/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL19138732 0.90 F2R (0.48) F2RPTGS1PTGS2ALOX5MEN1
SCHEMBL29351738 0.84 NPC1 (0.45) F2RPTGS1PTGS2ALOX5NPC1
SCHEMBL226646 0.84 NPC1 (0.45) F2RPTGS1PTGS2ALOX5NPC1
SCHEMBL31367920 0.81 PTGS2 (0.44) F2RPTGS1PTGS2ALOX5MEN1
SCHEMBL28539888 0.81 RAB9A (0.42) F2RPTGS1PTGS2ALOX5NPC1
SCHEMBL29152914 0.81 NPC1 (0.42) F2RKMT2ANPC1RAB9APOLB
SCHEMBL31390244 0.79 ESR1 (0.49) F2RNPC1RAB9ALMNA
SCHEMBL29015779 0.79 ESR1 (0.49) F2RNPC1RAB9ALMNA
SCHEMBL22325694 0.79 NPC1 (0.43) F2RPTGS1PTGS2ALOX5NPC1
SCHEMBL7563193 0.78 F2R (0.40) F2RPTGS1PTGS2ALOX5NPC1

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
CN-117539125-B Ultraviolet-cured nano imprinting adhesive and preparation method thereof 青岛天仁微纳科技有限责任公司 2024-11-08 CN disclosed
CN-117539125-A Ultraviolet-cured nano imprinting adhesive and preparation method thereof 青岛天仁微纳科技有限责任公司 2024-02-09 CN disclosed