SCHEMBL6983240

SCHEMBL6983240

CC[C@H](C)CN(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)C(=O)Cn1cncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 1/20 0.36
CYP19A1 P11511 1/20 0.36
APP P05067 1/20 0.35
ADAM17 P78536 2/20 0.34
FCER2 P06734 2/20 0.34
MMP3 P08254 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 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
SCHEMBL6982840 0.94 MMP1 (0.42) MMP1MMP13MEN1KMT2AMMP8
SCHEMBL6981814 0.87 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6980311 0.86 MMP1 (0.42) MMP1MMP13MMP8APPADAM17
SCHEMBL6985388 0.82 MMP1 (0.38) MMP1MMP13MEN1KMT2AMMP8
SCHEMBL6982089 0.81 MMP1 (0.47) MMP1MMP13MMP8APPADAM17
SCHEMBL7142422 0.81 APP (0.39) MMP1MMP13MEN1KMT2ACYP19A1
SCHEMBL6982700 0.80 MMP1 (0.42) MMP1MMP13MMP8APP
SCHEMBL6979941 0.80 MMP1 (0.42) MMP1MMP13MMP8APPADAM17
SCHEMBL6984132 0.78 ADAM17 (0.42) MMP1MMP13MEN1KMT2AMMP8
SCHEMBL7816201 0.77 MMP1 (0.44) MMP1MMP13MMP8MMP3MMP2

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