SCHEMBL19244580

SCHEMBL19244580

Nc1ccc(N2CCN(c3ccc(O)cc3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
THRB P10828 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CA6 P23280 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.52
CYP3A4 P08684 1/20 0.52
CASP1 P29466 1/20 0.52
HIF1A Q16665 1/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
APP P05067 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL19244975 0.82 ALDH1A1 (0.54) ALDH1A1THRBALOX15HSD17B10CA6
SCHEMBL12362754 0.78 RAB9A (0.45) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL3055201 0.77 MAPT (0.63) ALDH1A1THRBALOX15HSD17B10CA6
SCHEMBL3577171 0.76 MAPT (0.47) ALDH1A1THRBALOX15HSD17B10KMT2A
SCHEMBL18127988 0.76 RAB9A (0.47) ALDH1A1THRBALOX15HSD17B10KMT2A
SCHEMBL31662444 0.74 RAB9A (0.47) KMT2ARAB9AMEN1NPC1HDAC1
SCHEMBL31662436 0.74 F10 (0.43) KMT2ARAB9AMEN1NPC1TDP1
SCHEMBL10499525 0.73 MAPT (0.49) ALDH1A1KMT2ARAB9AMEN1NPC1
4-Aminophenol SCHEMBL4861305 0.72 ALDH1A1 (1.00) ALDH1A1THRBALOX15HSD17B10CA6
4-Aminophenol SCHEMBL6753971 0.72 ALDH1A1 (1.00) ALDH1A1THRBALOX15HSD17B10CA6

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-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed