SCHEMBL6987186

SCHEMBL6987186

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
ADAM17 P78536 3/20 0.37
AGTR2 P50052 1/20 0.36
LARS1 Q9P2J5 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
HMOX2 P30519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 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
SCHEMBL7808546 0.88 CTSS (0.36) ADAM17HRH4HMOX2MMP1MMP2
SCHEMBL6988039 0.86 CYP26A1 (0.36) TBXAS1ADAM17HRH4HMOX2MMP2
SCHEMBL7818934 0.82 CTSS (0.37) HRH4HMOX2
SCHEMBL6987467 0.81 CYP26A1 (0.36) TBXAS1AGTR2HMOX2
SCHEMBL7816193 0.80 CTSS (0.35) HMOX2MMP8
SCHEMBL6982695 0.79 CTSS (0.33) AGTR2HMOX2ALDH1A1MMP8
SCHEMBL6985861 0.79 HMOX2 (0.35) TBXAS1ADAM17HRH4HMOX2MMP2
SCHEMBL7816001 0.79 CTSK (0.41) HRH4
SCHEMBL6981901 0.77 HRH4 (0.39) TBXAS1AGTR2HRH4
SCHEMBL6980731 0.77 AGTR2 (0.34) AGTR2ALDH1A1MMP8

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-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
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed