SCHEMBL6937757

SCHEMBL6937757

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1cncnc1)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.34

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
SCHEMBL6942610 0.87 ADAM17 (0.46) ADAM17
SCHEMBL4481740 0.87 ADAM17 (0.46) ADAM17
SCHEMBL6945999 0.80 ADAM17 (0.43) ADAM17
SCHEMBL6945409 0.80 ADAM17 (0.43) ADAM17
SCHEMBL6941767 0.80 ADAM17 (0.46) ADAM17
SCHEMBL6943861 0.78 ADAM17 (0.39) ADAM17
SCHEMBL6942998 0.78 ADAM17 (0.44) ADAM17
SCHEMBL6940092 0.78 ADAM17 (0.44) ADAM17
SCHEMBL8097996 0.78 ADAM17 (0.46) ADAM17
SCHEMBL6942446 0.78 ADAM17 (0.46) ADAM17

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