SCHEMBL3710922

SCHEMBL3710922

CCOC(=O)c1cnc(-c2ccc3[nH]cc([N+](=O)[O-])c3c2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
USP10 Q14694 1/20 0.40
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
PPARG P37231 1/20 0.38
IMPDH2 P12268 1/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL7883332 0.84 CDC7 (0.56) CDC7DBF4MAPTRAB9AGABRA1
SCHEMBL3709678 0.84 CDC7 (0.56) CDC7DBF4MAPTRAB9AGABRA1
SCHEMBL3704380 0.82 CDC7 (0.51) CDC7DBF4THRATHRBMAPT
SCHEMBL3708608 0.81 CDC7 (0.53) CDC7DBF4GABRA1GABRB2IMPDH2
SCHEMBL2822552 0.78 CDC7 (0.68) CDC7DBF4MAPTGAARAB9A
SCHEMBL3708038 0.77 CDC7 (0.48) CDC7DBF4THRATHRBUSP10
SCHEMBL3711151 0.76 CDC7 (0.59) CDC7DBF4
SCHEMBL1647788 0.72 ALDH1A1 (0.41) MAPTRAB9AGABRA1GABRB2
SCHEMBL23794795 0.72 CDC7 (0.79) CDC7DBF4MAPTRAB9A
SCHEMBL16456794 0.71 CDC7 (0.77) CDC7DBF4MAPTRAB9A

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
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