SCHEMBL6986272

SCHEMBL6986272

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)OC(C)(C)C)C(/C=C/c1ccccc1)(CC(C)C)C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 2/20 0.34
REN P00797 3/20 0.34
NPSR1 Q6W5P4 5/20 0.33
POLB P06746 5/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAM17 P78536 2/20 0.33
CYP2C19 P33261 1/20 0.32
PSMB5 P28074 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL6944661 0.89 ADAM17 (0.34) MAPTMAPK1KMT2AATMREN
SCHEMBL6982662 0.89 ADAM17 (0.34) ADAM17CYP2C19
SCHEMBL6943849 0.88 ADAM17 (0.39) ADAM17
SCHEMBL7935004 0.81 ADAM17 (0.37) MAPTMAPK1KMT2AATMREN
SCHEMBL6984057 0.79 MGLL (0.31)
SCHEMBL6945158 0.77 ADAM17 (0.41) ADAM17CYP2C19
SCHEMBL6945908 0.77 ADAM17 (0.35) ADAM17CYP2C19
SCHEMBL6939979 0.76 ADAM17 (0.34) ADAM17CYP2C19GAA
SCHEMBL6943938 0.76 ADAM17 (0.40) ADAM17CYP2C19
SCHEMBL7805438 0.76 BACE1 (0.32)

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 8 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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed