SCHEMBL16010756

SCHEMBL16010756

COc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 1.00
TNKS O95271 5/20 1.00
TP53 P04637 7/20 0.93
SMN1; SMN2 Q16637 2/20 0.93
MAPT P10636 7/20 0.91
THRB P10828 3/20 0.91
CYP3A4 P08684 2/20 0.86
CYP2C9 P11712 2/20 0.86
AXIN2 Q9Y2T1 2/20 0.86
CYP2D6 P10635 1/20 0.86
SULT2A1 Q06520 1/20 0.86
NR5A1 Q13285 1/20 0.86
NPSR1 Q6W5P4 2/20 0.74
LMNA P02545 2/20 0.72
HTT P42858 1/20 0.72
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL11919898 0.93 TNKS2 (1.00) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919903 0.91 TP53 (1.00) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919910 0.88 SMN1; SMN2 (0.84) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL16447499 0.84 TNKS2 (1.00) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919908 0.84 NPSR1 (0.90) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919900 0.84 TNKS2 (0.83) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL6403463 0.82 CYP3A4 (0.73) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919921 0.82 TNKS2 (0.76) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919906 0.82 TP53 (0.82) TNKS2TNKSTP53SMN1; SMN2MAPT
SCHEMBL11919923 0.81 MAPT (0.76) TNKS2TNKSTP53SMN1; SMN2MAPT

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
US-20140255426-A1 WNT PATHWAY INHIBITORS FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-09-11 US disclosed