SCHEMBL7946997

SCHEMBL7946997

COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5cccc(N)c5)nccc4o3)NC(=O)NC1=O)C2

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.77
ADAM10 O14672 1/20 0.65
MMP1 P03956 1/20 0.65
MMP2 P08253 1/20 0.65
MMP3 P08254 1/20 0.65
MMP9 P14780 1/20 0.65
MMP13 P45452 1/20 0.65
MMP14 P50281 1/20 0.65

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
SCHEMBL10199799 0.90 ADAM17 (0.76) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7944418 0.89 ADAM17 (0.80) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7943726 0.89 ADAM17 (0.82) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10199596 0.87 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7940797 0.86 ADAM17 (0.79) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7935430 0.86 ADAM17 (0.81) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7943011 0.85 ADAM17 (0.74) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7942991 0.85 ADAM17 (0.80) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL7942983 0.84 ADAM17 (0.79) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL10268285 0.84 ADAM17 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed