SCHEMBL6980306

SCHEMBL6980306

CCCC(C[C@@H](C)CC)(C(=O)NN)C(=O)[C@@H]([C@H](CCCc1ccccc1)C(=O)NO)n1cc(C)nn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.32
MMP3 P08254 5/20 0.32
TSHR P16473 1/20 0.32
MMP1 P03956 3/20 0.32
MMP13 P45452 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MMP9 P14780 2/20 0.30
MMP8 P22894 2/20 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
SCHEMBL6979940 0.93 MMP3 (0.34) MMP2MMP3TSHRMMP1MMP13
SCHEMBL6980808 0.91 MMP3 (0.34) MMP2MMP3TSHRMMP1MMP13
SCHEMBL6983239 0.81 MMP2 (0.32) MMP2MMP3TSHRMMP1MMP13
SCHEMBL6987011 0.80 HDAC3 (0.33) HDAC8
SCHEMBL6982838 0.75 MMP2 (0.34) MMP2MMP3TSHRMMP1MMP13
SCHEMBL6985386 0.69 FKBP1A (0.32) MMP2MMP3MMP1MMP9MMP8
SCHEMBL7142417 0.66 MMP2 (0.36) MMP2MMP3MMP1MMP9
Hydrochloric Acid SCHEMBL7811423 0.65 ADAM17 (0.39)
SCHEMBL6982082 0.62 MMP3 (0.45) MMP2MMP3TSHRMMP1MMP9
SCHEMBL6986618 0.62 ADAM17 (0.37)

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
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP 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