SCHEMBL16628012

SCHEMBL16628012

Nc1ccccc1C(=O)c1cccc(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
GAA P10253 1/20 0.65
POLB P06746 3/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PBRM1 Q86U86 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 3/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CFTR P13569 1/20 0.41
ADORA1 P30542 1/20 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
SCHEMBL8374909 0.87 MAPT (0.77) MAPTGAAPOLBCA1CA2
SCHEMBL3840674 0.85 POLB (0.51) MAPTGAAPOLBPBRM1ALDH1A1
SCHEMBL7455315 0.84 AKR1C3 (0.59) MAPTGAAPOLBPBRM1ALDH1A1
SCHEMBL3841059 0.82 ATM (0.55) MAPTGAAPOLBPBRM1ALDH1A1
SCHEMBL9403450 0.82 MAPT (0.69) MAPTGAAPOLBCA1CA2
SCHEMBL29436991 0.82 MAPT (0.69) MAPTGAAPOLBCA1CA2
SCHEMBL8080314 0.81 MAPT (0.67) MAPTGAAPOLBCA1CA2
SCHEMBL27300542 0.81 MAPT (0.67) MAPTGAAPOLBCA1CA2
SCHEMBL10396941 0.80 MAPT (0.71) MAPTGAAPOLBCA1CA2
SCHEMBL10372151 0.79 POLB (0.68) MAPTGAAPOLBALDH1A1HSD17B10

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-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed