SCHEMBL8566928

SCHEMBL8566928

COc1ccc2[nH][c]nc2c1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 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
SCHEMBL10833235 0.78 KDM4E (0.36) NQO2
SCHEMBL6883568 0.78 CCNB2 (0.34) NQO2
SCHEMBL8563838 0.77 SIRT1 (0.30)
SCHEMBL557929 0.73 KEAP1 (0.44) NQO2
SCHEMBL2955217 0.70 CA2 (0.43) NQO2
SCHEMBL8562960 0.69 TUBB4A (0.37)
SCHEMBL18894095 0.68 TRPA1 (0.33)
SCHEMBL18894114 0.67
SCHEMBL8566667 0.66 MAPT (0.45)
SCHEMBL8564792 0.66 RAC1 (0.42) NQO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed