SCHEMBL29846747

SCHEMBL29846747

Cc1cccc(CC2=NOC(C(N)=O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.41
▸ ACSL1 P33121 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ GRM3 Q14832 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL29846626 0.85 IDO1 (0.41) NR3C2POLB
SCHEMBL29846754 0.79 SLC6A2 (0.40) TAAR1
SCHEMBL29846393 0.77 POLB (0.50) POLBATMALDH1A1HTTLMNA
SCHEMBL29846955 0.73 ALDH1A1 (0.46) NR3C2TAAR1ALDH1A1LMNA
SCHEMBL24518108 0.73 POLB (0.49) POLBALDH1A1LMNAL3MBTL1
SCHEMBL24517975 0.71 TSHR (0.43) LMNAL3MBTL1
SCHEMBL24518323 0.69 CYP4F2 (0.40) NPC1
SCHEMBL25397805 0.68 POLB (0.42) POLBTAAR1GRM2
SCHEMBL29846950 0.68 ALDH1A1 (0.49) POLBATMALDH1A1LMNAL3MBTL1
SCHEMBL30899554 0.66 — —

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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