SCHEMBL29250243

SCHEMBL29250243

O=C1NC(=O)C(CCC(=O)N2Cc3ccc(C(F)C(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.53
▸ MMP13 P45452 3/20 0.53
▸ ADAM17 P78536 2/20 0.52
▸ MMP2 P08253 4/20 0.51
▸ ADAMTS4 O75173 2/20 0.51
▸ ADAMTS1 Q9UHI8 1/20 0.51

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
SCHEMBL29835132 0.92 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29250237 0.92 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29250236 0.92 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL23745234 0.87 ADAMTS5 (0.53) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL23727862 0.87 ADAMTS5 (0.53) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29835183 0.87 ADAMTS5 (0.53) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL23745412 0.85 ADAMTS5 (0.65) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29250232 0.84 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29250234 0.84 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4
SCHEMBL29835200 0.84 ADAMTS5 (0.57) ADAMTS5MMP13ADAM17MMP2ADAMTS4

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-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
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