SCHEMBL31019102

SCHEMBL31019102

C#Cc1ccccc1OB(O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
ENPP2 Q13822 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
EZH2 Q15910 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL1372811 0.79 GAA (0.46)
SCHEMBL30517279 0.79 GAA (0.46)
SCHEMBL6678412 0.77 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3
SCHEMBL29706601 0.77 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3
SCHEMBL3842879 0.75 POLB (0.39) FABP7FABP3FABP5EZH2PTGDR2
SCHEMBL28539601 0.72 ADRA2B (0.33) FABP7FABP3FABP5
SCHEMBL29993703 0.71 CA1 (0.55) ENPP2ORAI1ORAI2ORAI3
SCHEMBL2885055 0.71 LMNA (0.42) ENPP2ORAI1ORAI2ORAI3
SCHEMBL236305 0.71 CA1 (0.55) ENPP2ORAI1ORAI2ORAI3
SCHEMBL10519027 0.71 FFAR1 (0.42)

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-118974043-A Polq inhibitor compounds and uses thereof 南京再明医药有限公司 2024-11-15 CN disclosed
CN-118525025-A Six-membered cyclothiazole compound and application thereof 南京再明医药有限公司 2024-08-20 CN disclosed