SCHEMBL30114437

SCHEMBL30114437

COc1ccc(CN(C)S(=O)(=O)c2cnc(Oc3ccc(C(F)(F)F)cc3)c(B(O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 1/20 0.46
▸ LMNA P02545 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NR1H3 Q13133 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ DAGLA Q9Y4D2 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ HPGD P15428 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
SCHEMBL28961312 1.00 BMP1 (0.46) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL24880372 0.87 BMP1 (0.47) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL29814211 0.76 LMNA (0.47) LMNASMN1; SMN2HTTNPSR1LIPE
SCHEMBL24631262 0.76 LMNA (0.47) LMNASMN1; SMN2HTTNPSR1LIPE
SCHEMBL30876228 0.76 BMP1 (0.47) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL24497433 0.76 BMP1 (0.47) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL29206993 0.76 BMP1 (0.47) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL24880371 0.75 PAX8 (0.36) BMP1NPBWR1
SCHEMBL24497406 0.73 BMP1 (0.43) BMP1LMNASMN1; SMN2HTTKDM4E
SCHEMBL30114488 0.73 BMP1 (0.60) BMP1LMNAHTTKDM4ENR1H3

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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