SCHEMBL7941555

SCHEMBL7941555

C=C(O/C(=N\N)NCC)c1ccc2oc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.60
TNF P01375 2/20 0.42
ADAM10 O14672 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL10200971 0.85 ADAM17 (0.72) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10200967 0.84 ADAM17 (0.71) ADAM17TNFADAM10MMP1MMP2
SCHEMBL7943649 0.81 ADAM17 (0.74) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10200976 0.81 ADAM17 (0.76) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10200961 0.79 ADAM17 (0.72) ADAM17TNFADAM10MMP1MMP2
SCHEMBL7943117 0.78 ADAM17 (0.65) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10199384 0.77 ADAM17 (0.79) ADAM17TNF
SCHEMBL7943251 0.77 ADAM17 (0.83) ADAM17TNF
SCHEMBL7941661 0.77 ADAM17 (0.72) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10263357 0.77 ADAM17 (0.69) ADAM17TNFADAM10MMP1MMP2

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