SCHEMBL15775265

SCHEMBL15775265

O=c1nc(-c2ccc(Br)cc2)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
NR1I3 Q14994 1/20 0.68
TNKS O95271 5/20 0.59
TNKS2 Q9H2K2 5/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1B1 Q16678 1/20 0.59
MAPK13 O15264 3/20 0.50
GCGR P47871 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
MAPK14 Q16539 3/20 0.50
PARP2 Q9UGN5 2/20 0.50
PARP1 P09874 2/20 0.50
RXFP1 Q9HBX9 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL8618963 0.92 ALDH1A1 (0.56) MAPTNR1I3TNKSTNKS2CYP1A1
SCHEMBL2823766 0.86 ALDH1A1 (0.64) MAPTNR1I3TNKSTNKS2PARP1
SCHEMBL10628275 0.84 ALDH1A1 (0.61) MAPTNR1I3TNKSTNKS2PARP1
SCHEMBL15775687 0.84 TNKS (0.59) MAPTNR1I3TNKSTNKS2PARP1
SCHEMBL8618923 0.84 TNKS (0.59) MAPTNR1I3TNKSTNKS2MAPK13
SCHEMBL15775502 0.84 PARP1 (0.59) MAPTNR1I3TNKSTNKS2MAPK13
SCHEMBL15775875 0.84 ALDH1A1 (0.49) MAPTNR1I3TNKSTNKS2CYP1A1
SCHEMBL8618978 0.84 KDM4E (0.61) MAPTNR1I3TNKSTNKS2MAPK13
SCHEMBL6887071 0.82 ALDH1A1 (0.52) MAPTTNKSTNKS2PARP1RXFP1
SCHEMBL3497007 0.81 RXFP1 (0.69) MAPTNR1I3TNKSTNKS2CYP1A1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed