SCHEMBL7104725

SCHEMBL7104725

CCCC(CC(C)C)(C(=O)NN)S(=O)(=O)C[C@@H](c1cc(C)ccn1)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MASP2 O00187 1/20 0.31

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
Hydrochloric Acid SCHEMBL7104764 0.99 ADAM17 (0.39) ADAM17NPC1RAB9AMASP2
SCHEMBL6944954 0.87 ADAM17 (0.37) ADAM17NPC1RAB9AMASP2
SCHEMBL7103575 0.87 TGFBR1 (0.32)
Hydrochloric Acid SCHEMBL7805704 0.80 ADAM17 (0.36) ADAM17NPC1RAB9AMASP2
Hydrochloric Acid SCHEMBL6985210 0.80 ADAM17 (0.36) ADAM17NPC1RAB9AMASP2
SCHEMBL6942646 0.76 ADAM17 (0.40) ADAM17MASP2
SCHEMBL7100106 0.75 ADAM17 (0.40) ADAM17
SCHEMBL7103635 0.75 ADAM17 (0.44) ADAM17MASP2
Hydrochloric Acid SCHEMBL7105152 0.75 ADAM17 (0.40) ADAM17
SCHEMBL8111670 0.74 ADAM17 (0.38) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

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