SCHEMBL29846590

SCHEMBL29846590

Cc1cc(C(=O)NCC2=NOC(C(N)=O)C2)n(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPK1 P28482 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL29847066 0.87 MEN1 (0.43) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL29846908 0.84 MAPT (0.57) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL29846684 0.77 F10 (0.38) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29846367 0.73 P2RX7 (0.50) MAPTALDH1A1LMNAKMT2A
SCHEMBL29846393 0.73 POLB (0.50) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL29846627 0.73 MAPT (0.57) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL3074249 0.72 TSHR (0.58) MAPTALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL29846897 0.72 KDM4E (0.60) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL25399225 0.71 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL29846950 0.71 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1LMNA

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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