SCHEMBL13048281

SCHEMBL13048281

COc1ccccc1-c1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1-c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.69
TNKS2 Q9H2K2 13/20 0.65
THRB P10828 4/20 0.65
MAPT P10636 3/20 0.65
TNKS O95271 4/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
AXIN2 Q9Y2T1 3/20 0.63
CYP2D6 P10635 1/20 0.63
SULT2A1 Q06520 1/20 0.63
NR5A1 Q13285 1/20 0.63
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL11919906 0.92 TP53 (0.82) TP53TNKS2THRBMAPTTNKS
SCHEMBL13046998 0.83 NPSR1 (0.90) TP53TNKS2THRBMAPTTNKS
SCHEMBL11919898 0.78 TNKS2 (1.00) TP53TNKS2THRBMAPTTNKS
SCHEMBL16447499 0.76 TNKS2 (1.00) TP53TNKS2THRBMAPTTNKS
SCHEMBL6403474 0.75 CYP3A4 (0.73) TP53MAPTCYP3A4MEN1ALDH1A1
SCHEMBL13048271 0.75 TP53 (0.84) TP53TNKS2THRBMAPTTNKS
SCHEMBL11919996 0.74 ALDH1A1 (0.80) TP53TNKS2THRBMAPTTNKS
SCHEMBL13046997 0.74 NPSR1 (0.74) TP53TNKS2THRBMAPTTNKS
SCHEMBL16010756 0.74 TNKS2 (1.00) TP53TNKS2THRBMAPTTNKS
SCHEMBL11919901 0.73 TP53 (1.00) TP53TNKS2THRBMAPTTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 WO disclosed