SCHEMBL29250251

SCHEMBL29250251

O=C1NC(=O)C(CCC(=O)N2Cc3cc(Br)c(C(F)(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.52
▸ ADAM17 P78536 2/20 0.52
▸ MMP13 P45452 3/20 0.51
▸ MMP2 P08253 5/20 0.49
▸ ADAMTS4 O75173 2/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ ADAMTS1 Q9UHI8 1/20 0.48

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
SCHEMBL23745235 1.00 ADAMTS5 (0.52) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745294 0.89 ADAMTS5 (0.56) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29116575 0.88 ADAMTS5 (0.56) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745400 0.88 ADAMTS5 (0.56) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29835119 0.86 ADAMTS5 (0.49) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29250261 0.86 ADAMTS5 (0.49) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745258 0.86 ADAMTS5 (0.49) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745214 0.84 ADAMTS5 (0.55) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29835134 0.84 ADAMTS5 (0.55) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29250257 0.84 ADAMTS5 (0.55) ADAMTS5ADAM17MMP13MMP2ADAMTS4

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
Send feedback