SCHEMBL6982902

SCHEMBL6982902

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)Cc1nnn[nH]1)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.46
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL6984877 0.89 ADAM17 (0.58) ADAM17
Hydrochloric Acid SCHEMBL6978489 0.88 ADAM17 (0.57) ADAM17
SCHEMBL6948137 0.84 ADAM17 (0.55) ADAM17
SCHEMBL6948147 0.84 ADAM17 (0.55) ADAM17
SCHEMBL6944663 0.82 ADAM17 (0.56) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6984054 0.81 ADAM17 (0.42) ADAM17
SCHEMBL6986274 0.81 ADAM17 (0.52) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL7935009 0.76 ADAM17 (0.76) ADAM17
SCHEMBL6220493 0.74 ADAM17 (0.48) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6220496 0.74 ADAM17 (0.48) ADAM17MAPTMAPK1KMT2AATM

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