SCHEMBL15775875

SCHEMBL15775875

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 2/20 0.48
NR1I3 Q14994 1/20 0.48
TNKS O95271 7/20 0.42
TNKS2 Q9H2K2 7/20 0.42
PARP1 P09874 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
GUSB P08236 2/20 0.41
PARP2 Q9UGN5 2/20 0.41

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) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL2823766 0.86 ALDH1A1 (0.64) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL15775502 0.84 PARP1 (0.59) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL15775687 0.84 TNKS (0.59) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL10628275 0.84 ALDH1A1 (0.61) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL8618978 0.84 KDM4E (0.61) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL8618923 0.84 TNKS (0.59) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL15775265 0.84 MAPT (0.68) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL6887071 0.82 ALDH1A1 (0.52) ALDH1A1GAAPOLBRXFP1MAPT
SCHEMBL3461430 0.81 ALDH1A1 (0.49) ALDH1A1GAAPOLBRXFP1MAPT

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