SCHEMBL13889348

SCHEMBL13889348

COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4ccncc4c3)NC(=O)NC1=O)C2

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.77
ADAM10 O14672 1/20 0.77
MMP1 P03956 1/20 0.77
MMP2 P08253 1/20 0.77
MMP3 P08254 1/20 0.77
MMP9 P14780 1/20 0.77
MMP13 P45452 1/20 0.77
TNF P01375 8/20 0.74

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
SCHEMBL8232636 0.87 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL12862651 0.87 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13200912 0.86 ADAM17 (1.00) ADAM17TNF
SCHEMBL13200151 0.86 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13201297 0.86 TNF (0.75) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13201506 0.86 ADAM17 (0.82) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13200235 0.86 ADAM17 (0.82) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13201503 0.85 ADAM17 (0.75) ADAM17TNF
SCHEMBL13201236 0.85 ADAM17 (0.77) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13200216 0.85 ADAM17 (0.89) ADAM17ADAM10MMP1MMP2MMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed