SCHEMBL6940123

SCHEMBL6940123

CCC[C@](C(=O)NN)(c1ccccc1)S(=O)(=O)/C=C(/c1ccc(C)cc1)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.33
ADAM17 P78536 1/20 0.33
CTSC P53634 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
MAPT P10636 1/20 0.32
PIN1 Q13526 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
EGFR P00533 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL6940523 0.85 TGFBR1 (0.31)
SCHEMBL6942510 0.73 ADAM17 (0.36) ADAM17CTSCGRIK1GRIK2MAPT
SCHEMBL6940940 0.72 ADAM17 (0.35) ADAM17CTSCGRIK1GRIK2MAPT
SCHEMBL6942646 0.70 ADAM17 (0.40) CYP1B1ADAM17CTSCGRIK1GRIK2
SCHEMBL6940907 0.69 ADAM17 (0.33) ADAM17CTSCMAPTMMP1MMP2
SCHEMBL6942799 0.69 ADAM17 (0.34) ADAM17CTSCMAPT
SCHEMBL6944604 0.68 ADAM17 (0.36) ADAM17CTSCGRIK1GRIK2MMP1
SCHEMBL6989494 0.68 ADAM17 (0.31) ADAM17CTSCGRIK1GRIK2
SCHEMBL6939564 0.68 ADAM17 (0.40) ADAM17CTSCGRIK1GRIK2MAPT
SCHEMBL6943958 0.67 ADAM17 (0.34) ADAM17CTSC

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed