SCHEMBL13048271

SCHEMBL13048271

Oc1ccc(-n2c(SCc3nc(-c4ccc(Cl)cc4)no3)nnc2-c2ccncc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.84
LMNA P02545 2/20 0.82
HTT P42858 2/20 0.82
NPSR1 Q6W5P4 2/20 0.75
TNKS2 Q9H2K2 9/20 0.70
MAPT P10636 6/20 0.70
TNKS O95271 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
THRB P10828 2/20 0.70
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
SULT2A1 Q06520 1/20 0.67
NR5A1 Q13285 1/20 0.67
AXIN2 Q9Y2T1 1/20 0.67
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61

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
SCHEMBL11919901 0.91 TP53 (1.00) TP53LMNAHTTNPSR1TNKS2
SCHEMBL13046998 0.91 NPSR1 (0.90) TP53LMNAHTTNPSR1TNKS2
SCHEMBL11919909 0.91 TP53 (0.84) TP53LMNAHTTNPSR1TNKS2
SCHEMBL11919903 0.88 TP53 (1.00) TP53LMNAHTTNPSR1TNKS2
SCHEMBL13048272 0.83 TSHR (0.83) TP53LMNAHTTNPSR1TNKS2
SCHEMBL13046997 0.82 NPSR1 (0.74) TP53LMNAHTTNPSR1TNKS2
SCHEMBL11919942 0.82 LMNA (0.78) TP53LMNAHTTNPSR1TNKS2
SCHEMBL11919898 0.80 TNKS2 (1.00) TP53LMNANPSR1TNKS2MAPT
SCHEMBL11919979 0.80 NPSR1 (0.87) TP53LMNAHTTNPSR1TNKS2
SCHEMBL11919919 0.80 ALDH1A1 (0.73) TP53LMNAHTTNPSR1TNKS2

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