SCHEMBL29250248

SCHEMBL29250248

CC(=O)c1ccc2c(c1)CN(C(=O)CCC1(C3CC3)NC(=O)NC1=O)C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.55
▸ ADAM17 P78536 3/20 0.55
▸ MMP2 P08253 5/20 0.53
▸ ADAMTS4 O75173 3/20 0.53
▸ MMP13 P45452 2/20 0.53
▸ ADAMTS1 Q9UHI8 1/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP12 P39900 1/20 0.53

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
SCHEMBL29250247 1.00 ADAMTS5 (0.55) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL23745340 0.91 ADAMTS5 (0.59) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL29835156 0.91 ADAMTS5 (0.59) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL29250244 0.91 ADAMTS5 (0.59) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL31121194 0.86 ADAMTS5 (0.69) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL23745413 0.86 ADAMTS5 (0.69) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL23727712 0.85 ADAMTS5 (0.66) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL23745412 0.85 ADAMTS5 (0.65) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL23727713 0.85 ADAMTS5 (0.66) ADAMTS5ADAM17MMP2ADAMTS4MMP13
SCHEMBL29835195 0.85 ADAMTS5 (0.66) ADAMTS5ADAM17MMP2ADAMTS4MMP13

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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