SCHEMBL30876288

SCHEMBL30876288

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCc3ccc(C(F)(F)F)cc3)c(-c3cn4c(n3)OC(C)C4)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 13/20 0.38
▸ ACP1 P24666 1/20 0.36
▸ BMP1 P13497 1/20 0.35

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
SCHEMBL30876259 1.00 PAX8 (0.38) PAX8ACP1BMP1
SCHEMBL30876258 1.00 PAX8 (0.38) PAX8ACP1BMP1
SCHEMBL29206994 1.00 PAX8 (0.38) PAX8ACP1BMP1
SCHEMBL29206998 1.00 PAX8 (0.38) PAX8ACP1BMP1
SCHEMBL30876291 0.93 NAMPT (0.37) PAX8
SCHEMBL29206979 0.93 NAMPT (0.37) PAX8
SCHEMBL30876254 0.93 NAMPT (0.37) PAX8
SCHEMBL29206982 0.93 NAMPT (0.37) PAX8
SCHEMBL24880371 0.88 PAX8 (0.36) PAX8BMP1
SCHEMBL28960833 0.88 PAX8 (0.36) PAX8BMP1

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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