SCHEMBL3716982

SCHEMBL3716982

CC(C)n1cc([N+](=O)[O-])c2cc(-c3ncc(C(=O)O)s3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
PPARG P37231 1/20 0.37
XDH P47989 2/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3708038 0.87 CDC7 (0.48) THRATHRBPPARGNPC1POLB
SCHEMBL7895465 0.83 XDH (0.38) XDHNPC1POLBRAB9ASMN1; SMN2
SCHEMBL3705174 0.83 PPARG (0.42) PPARGXDHNPC1POLBRAB9A
SCHEMBL3710951 0.81 XDH (0.56) THRATHRBXDHNPC1POLB
SCHEMBL3703462 0.80 XDH (0.55) XDH
SCHEMBL1647683 0.76 KMO (0.44)
SCHEMBL3703443 0.73 XDH (0.59) XDH
SCHEMBL3711238 0.73 CDC7 (0.47) THRATHRBXDHRAB9A
SCHEMBL1647158 0.73 HPGDS (0.43)
SCHEMBL3712007 0.73 XDH (0.61) THRATHRBXDHNPC1POLB

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