SCHEMBL6982391

SCHEMBL6982391

CC(C)CC(/C=C/c1cccnc1)[C@H](C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ADAM17 P78536 2/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 2/20 0.35
NAMPT P43490 3/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
JUN P05412 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL6943368 0.88 ADAM17 (0.37) ADAM17KDM4EMAPTMAPK1
SCHEMBL6942458 0.88 ADAM17 (0.37) ADAM17KDM4EMAPTMAPK1
SCHEMBL6979636 0.82 ADAM17 (0.35) ADAM17MAPTMAPK1
SCHEMBL6986700 0.81 PSMB5 (0.36) ADAM17MAPTMAPK1
SCHEMBL6983531 0.81 REN (0.41) KDM4EMAPTMAPK1
SCHEMBL6981635 0.80 MAPT (0.35) ADAM17MAPTMAPK1AAK1
SCHEMBL6979974 0.79 SMN1; SMN2 (0.39) RAB9ALMNAKDM4ENPC1MAPT
SCHEMBL7927620 0.79 SMN1; SMN2 (0.39) RAB9ALMNAKDM4ENPC1MAPT
SCHEMBL6984926 0.79 REN (0.39) ADAM17MAPK1
SCHEMBL6983731 0.78 MAPT (0.36) ADAM17KDM4EMAPTMAPK1

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