SCHEMBL7103575

SCHEMBL7103575

CCCC(CC(C)C)(C(=O)NN)S(=O)(=O)C[C@@H](c1cc(C)ccn1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32

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
SCHEMBL7104725 0.87 ADAM17 (0.39)
Hydrochloric Acid SCHEMBL7104764 0.86 ADAM17 (0.39)
SCHEMBL6942423 0.81 TGFBR1 (0.33) TGFBR1
SCHEMBL8097973 0.80 P2RX3 (0.32) TGFBR1
SCHEMBL6945779 0.78 TGFBR1 (0.33) TGFBR1
SCHEMBL6944946 0.76 TGFBR1 (0.32) TGFBR1
SCHEMBL6943244 0.76 TGFBR1 (0.35) TGFBR1
SCHEMBL6946755 0.76 TGFBR1 (0.32) TGFBR1
SCHEMBL6944954 0.75 ADAM17 (0.37)
SCHEMBL6983333 0.75 TGFBR1 (0.33) TGFBR1

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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed