SCHEMBL30876248

SCHEMBL30876248

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCC3[C@H]4CC(F)(F)C[C@@H]34)c(Br)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP8 P22894 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ TNF P01375 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL30876249 0.88 L3MBTL1 (0.37) MEN1KMT2APOLBL3MBTL1MMP2
SCHEMBL30876233 0.84 L3MBTL1 (0.36) MEN1KMT2APOLBL3MBTL1MMP2
SCHEMBL30876250 0.84 KAT8 (0.39) MEN1KMT2AL3MBTL1TNFNOD2
SCHEMBL30876219 0.80 L3MBTL1 (0.37) MEN1KMT2APOLBL3MBTL1MMP2
SCHEMBL30876273 0.78 KAT8 (0.40) MEN1KMT2ATNFNOD2NOD1
SCHEMBL30135124 0.77 ALDH1A1 (0.41) MEN1KMT2APOLBL3MBTL1MMP2
SCHEMBL30876228 0.77 BMP1 (0.47) L3MBTL1MMP9MMP13ALDH1A1CYP1A2
SCHEMBL29206993 0.77 BMP1 (0.47) L3MBTL1MMP9MMP13ALDH1A1CYP1A2
SCHEMBL30876275 0.74 NAMPT (0.46) MEN1KMT2AMMP9MMP13BMP1
SCHEMBL29206926 0.74 NAMPT (0.46) MEN1KMT2AMMP9MMP13BMP1

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-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 — — CN disclosed
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