SCHEMBL3709402

SCHEMBL3709402

CCOC(=O)c1cnc(-c2cc([N+](=O)[O-])c3[nH]c(CC(C)C)cc3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
FBP1 P09467 2/20 0.40
USP10 Q14694 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 4/20 0.34
THRB P10828 3/20 0.34
THRA P10827 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL3710221 0.88 FBP1 (0.47) FBP1THRBTHRAPPARG
SCHEMBL2822552 0.70 CDC7 (0.68) CDC7DBF4MAPTALDH1A1GAA
SCHEMBL3712683 0.69 CDC7 (0.48) CDC7DBF4MEN1LMNAKMT2A
SCHEMBL3710922 0.69 CDC7 (0.52) CDC7DBF4USP10MAPTTHRB
SCHEMBL3710384 0.69 CDC7 (0.48) CDC7DBF4LMNAMAPTALDH1A1
SCHEMBL28459984 0.69 FBP1 (0.73) FBP1MEN1LMNAKMT2AMAPT
SCHEMBL3708038 0.69 CDC7 (0.48) CDC7DBF4USP10MEN1LMNA
SCHEMBL23794717 0.67 CDC7 (0.67) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL3714233 0.67 XDH (0.54) CDC7DBF4MEN1LMNAKMT2A
SCHEMBL23794795 0.67 CDC7 (0.79) CDC7DBF4MEN1LMNAKMT2A

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