SCHEMBL7423135

SCHEMBL7423135

CC#CCOc1ccc(S(=O)(=O)NC(CCCCNC(=O)c2ccc(Br)cc2)C(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.59
MMP9 P14780 15/20 0.59
MMP1 P03956 11/20 0.59
ADAM10 O14672 8/20 0.59
MMP2 P08253 8/20 0.59
MMP14 P50281 7/20 0.59
ADAM8 P78325 4/20 0.57
MMP12 P39900 3/20 0.57
MMP13 P45452 9/20 0.57
MMP7 P09237 1/20 0.55
MMP8 P22894 1/20 0.55
ADAMTS4 O75173 1/20 0.51
ADAMTS1 Q9UHI8 1/20 0.51
ADAMTS7 Q9UKP4 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
MMP3 P08254 1/20 0.49

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
SCHEMBL3944138 1.00 ADAM17 (0.59) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL7421462 0.97 ADAM17 (0.61) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3947078 0.97 ADAM17 (0.61) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3940926 0.93 ADAM17 (0.59) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3940147 0.92 ADAM17 (0.58) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3940506 0.92 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL7414380 0.92 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3939484 0.91 ADAM17 (0.58) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL7419812 0.91 ADAM17 (0.58) ADAM17MMP9MMP1ADAM10MMP2
SCHEMBL3949062 0.90 ADAM17 (0.60) ADAM17MMP9MMP1ADAM10MMP2

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-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed