SCHEMBL17589682

SCHEMBL17589682

Nc1ccc(-c2ncn(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CA6 P23280 1/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
APP P05067 3/20 0.40
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2744384 0.84 MEN1 (0.47) MAPTALDH1A1ADORA3MEN1NPC1
SCHEMBL6758439 0.84 SMN1; SMN2 (0.48) MAPTALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL16089351 0.84 SMN1; SMN2 (0.48) MAPTALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL6758198 0.83 MEN1 (0.45) MAPTALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL4549484 0.83 MEN1 (0.43) MAPTALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3753691 0.82 MAPT (0.40) MAPTALDH1A1HSD17B10CYP3A4THRB
SCHEMBL10241058 0.81 MAPT (0.40) MAPTADORA3MEN1NPC1RAB9A
SCHEMBL19244630 0.81 ALDH5A1 (0.48) MAPTALDH1A1ADORA3MEN1NPC1
SCHEMBL19244631 0.81 CA12 (0.48) MAPTCA3CA6CA14MEN1
SCHEMBL14576537 0.80 KIF11 (0.51)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed