SCHEMBL6944720

SCHEMBL6944720

CS(=O)(=O)N(NC(=O)C(c1ccccc1)C(CC=Cc1ccccc1)C(=O)NO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.54
MMP2 P08253 6/20 0.37
MMP9 P14780 6/20 0.37
MMP1 P03956 2/20 0.37
TNF P01375 1/20 0.37
MMP3 P08254 1/20 0.37
CTSC P53634 1/20 0.35
CNR2 P34972 1/20 0.34
HTR2A P28223 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MMP13 P45452 2/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6948294 0.93 ADAM17 (0.48) ADAM17MMP2MMP9CTSCHTR2A
SCHEMBL6940945 0.84 ADAM17 (0.75) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6939612 0.84 ADAM17 (0.58) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6939936 0.83 ADAM17 (0.56) ADAM17MMP2MMP9MMP1CTSC
SCHEMBL6943824 0.81 ADAM17 (0.55) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6939403 0.81 ADAM17 (0.55) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6939783 0.81 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6945656 0.80 ADAM17 (0.71) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL6940033 0.79 ADAM17 (0.49) ADAM17MMP2MMP9CTSCCNR2
SCHEMBL6943011 0.78 ADAM17 (0.65) ADAM17MMP2MMP9MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed