SCHEMBL6981635

SCHEMBL6981635

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
MAPK1 P28482 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 2/20 0.35
REN P00797 3/20 0.35
NPSR1 Q6W5P4 5/20 0.35
POLB P06746 5/20 0.35
RECQL P46063 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADAM17 P78536 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PSMB5 P28074 1/20 0.34
GAA P10253 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
SCHEMBL6942458 0.91 ADAM17 (0.37) MAPTMAPK1KMT2AATMREN
SCHEMBL6943368 0.91 ADAM17 (0.37) MAPTMAPK1KMT2AATMREN
SCHEMBL6986700 0.87 PSMB5 (0.36) MAPTMAPK1KMT2AATMREN
SCHEMBL6983531 0.87 REN (0.41) MAPTMAPK1ATMRENNPSR1
SCHEMBL6984066 0.87 ADAM17 (0.39) ADAM17
SCHEMBL6979636 0.86 ADAM17 (0.35) MAPTMAPK1KMT2AATMREN
SCHEMBL6984926 0.85 REN (0.39) MAPK1KMT2AATMRENMEN1
SCHEMBL6221981 0.85 REN (0.37) MAPTMAPK1KMT2AATMREN
SCHEMBL6985082 0.84 CTSS (0.35) MAPTMAPK1KMT2AATMREN
SCHEMBL6986589 0.84 PSMB5 (0.34) MAPTMAPK1KMT2AATMREN

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