SCHEMBL30876233

SCHEMBL30876233

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCC3C[C@@H]4[C@H](C3)C4(F)F)c(Br)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ CXCR3 P49682 2/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ MMP2 P08253 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP8 P22894 3/20 0.33
▸ MMP13 P45452 3/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL30876219 0.89 L3MBTL1 (0.37) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL30876248 0.84 MEN1 (0.37) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL30876255 0.84 L3MBTL1 (0.37) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL30876249 0.79 L3MBTL1 (0.37) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL29206993 0.77 BMP1 (0.47) L3MBTL1ALDH1A1LMNAMMP9MMP13
SCHEMBL30876228 0.77 BMP1 (0.47) L3MBTL1ALDH1A1LMNAMMP9MMP13
SCHEMBL30135124 0.77 ALDH1A1 (0.41) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL30876275 0.74 NAMPT (0.46) MEN1KMT2AMMP9MMP13
SCHEMBL29206926 0.74 NAMPT (0.46) MEN1KMT2AMMP9MMP13
SCHEMBL24497371 0.74 BMP1 (0.44) MEN1KMT2APOLBLMNAMMP9

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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