SCHEMBL29835124

SCHEMBL29835124

O=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(c2cccnc2)N1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.62
▸ ADAM17 P78536 9/20 0.62
▸ MMP2 P08253 5/20 0.61
▸ MMP13 P45452 3/20 0.60
▸ MMP14 P50281 2/20 0.56

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
SCHEMBL23727805 1.00 ADAMTS5 (0.62) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745267 0.86 ADAMTS5 (0.55) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745266 0.86 ADAMTS5 (0.55) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745265 0.86 ADAMTS5 (0.55) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23727492 0.86 ADAMTS5 (0.52) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745246 0.84 ADAMTS5 (0.61) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745245 0.84 ADAMTS5 (0.61) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745272 0.84 ADAMTS5 (0.61) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23727803 0.84 ADAMTS5 (0.57) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745278 0.83 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13MMP14

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 3 patents. 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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
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