SCHEMBL3710221

SCHEMBL3710221

CC(C)Cc1cc2cc(-c3ncc(C(=O)O)s3)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.47
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36
XDH P47989 3/20 0.36
PPARG P37231 1/20 0.34

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
SCHEMBL3709402 0.88 CDC7 (0.45) FBP1THRATHRBPPARG
SCHEMBL3710567 0.68 FBP1 (0.48) FBP1XDH
SCHEMBL3708956 0.65 XDH (0.46) XDH
SCHEMBL28471005 0.65 FBP1 (1.00) FBP1XDH
SCHEMBL3716982 0.64 THRA (0.43) THRATHRBXDHPPARG
SCHEMBL27935663 0.63 XDH (0.56) XDHPPARG
SCHEMBL3713372 0.62 XDH (0.67) FBP1THRATHRBXDH
SCHEMBL10441535 0.61 HCAR2 (0.52)
SCHEMBL16923960 0.60 THRA (0.42) THRATHRBPPARG
SCHEMBL27787935 0.60 FBP1 (0.42) FBP1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO claimed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed