SCHEMBL3704380

SCHEMBL3704380

CCOC(=O)c1sc(-c2ccc3[nH]cc([N+](=O)[O-])c3c2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.51
DBF4 Q9UBU7 5/20 0.51
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 6/20 0.43
RAB9A P51151 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPT P10636 1/20 0.42
HTR1A P08908 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL7893016 0.85 CDC7 (0.56) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3705237 0.84 CDC7 (0.48) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3707514 0.84 CDC7 (0.55) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3710922 0.82 CDC7 (0.52) CDC7DBF4RAB9AMAPTTHRA
SCHEMBL3704315 0.82 CDC7 (0.53) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL460614 0.81 CDC7 (0.57) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3717089 0.81 CDC7 (0.52) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL8867203 0.81 CDC7 (0.56) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL17309802 0.81 CDC7 (0.56) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3716328 0.80 CDC7 (0.50) CDC7DBF4KDM4EALDH1A1LMNA

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