SCHEMBL6985861

SCHEMBL6985861

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(/C=C/c1ccccc1)(CC(C)C)C(=O)Cn1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMOX2 P30519 1/20 0.35
ADAM17 P78536 2/20 0.35
TBXAS1 P24557 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL6980337 0.91 ADAM17 (0.33) ADAM17
SCHEMBL6986290 0.85 CYP19A1 (0.34) TBXAS1MMP2HRH4
SCHEMBL6986412 0.85 ADAM17 (0.39) ADAM17MMP2MMP9MMP8
SCHEMBL6937767 0.85 ADAM17 (0.39) ADAM17MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6983390 0.83 ADAM17 (0.38) ADAM17MMP2MMP9MMP8
SCHEMBL6945158 0.83 ADAM17 (0.41) ADAM17MMP2MMP9MMP8
SCHEMBL7813141 0.82 ADAM17 (0.39) ADAM17MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6978179 0.82 ADAM17 (0.38) ADAM17MMP2MMP9MMP8
SCHEMBL6983160 0.82 ADAM17 (0.38) ADAM17MMP2MMP9MMP8
SCHEMBL6982488 0.82 ADAM17 (0.38) ADAM17MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US claimed
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed