SCHEMBL30114282

SCHEMBL30114282

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccnc(C(C)(C)O)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ ACLY P53396 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ TAS2R14 Q9NYV8 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BMP1 P13497 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39

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
SCHEMBL30114163 0.87 ALDH1A1 (0.46) ALDH1A1ACLYMAPK1TAS2R14LMNA
SCHEMBL24880072 0.77 WDR5 (0.39) ACLYMAPTGAASMN1; SMN2LMNA
SCHEMBL30113958 0.77 WDR5 (0.39) ACLYMAPTGAASMN1; SMN2LMNA
SCHEMBL30114488 0.76 BMP1 (0.60) ALDH1A1MAPTTAS2R14LMNAKMT2A
SCHEMBL30194803 0.72 TNNI3K (0.45) ALDH1A1MAPTSMN1; SMN2TGFBR1
SCHEMBL30114634 0.72 BMP1 (0.50) ALDH1A1MAPTKMT2ABMP1
SCHEMBL30014545 0.71 APLNR (0.51) ACLYSMN1; SMN2TAS2R14LMNAKMT2A
SCHEMBL29966020 0.70 LMNA (0.63) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL6958238 0.69 TAS2R14 (0.64) ALDH1A1ACLYTAS2R14KMT2A
SCHEMBL4012164 0.69 TAS2R14 (0.53) ALDH1A1ACLYTAS2R14

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
CN-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
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