SCHEMBL6987004

SCHEMBL6987004

CCC(CC)CN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOCc1ccccc1)C(=O)Cn1cncn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.42
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.33
MMP2 P08253 7/20 0.32
MMP3 P08254 7/20 0.32
MMP7 P09237 6/20 0.32
MMP1 P03956 6/20 0.32
PSMB5 P28074 1/20 0.32
MMP8 P22894 2/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6984132 0.94 ADAM17 (0.42) ADAM17KMT2AMEN1MMP2MMP3
SCHEMBL6982847 0.88 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6986296 0.88 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6984386 0.82 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6987013 0.82 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6981590 0.80 ADAM17 (0.43) ADAM17PSMB5HTT
SCHEMBL6982840 0.78 MMP1 (0.42) ADAM17KMT2AMEN1MMP2MMP3
SCHEMBL6984118 0.77 ADAM17 (0.45) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6981505 0.76 ADAM17 (0.53) ADAM17KMT2AMEN1MMP2MMP3
SCHEMBL6986888 0.74 ADAM17 (0.43) ADAM17PSMB5HTT

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