SCHEMBL10241058

SCHEMBL10241058

OCc1ccc(-c2ncn(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL19042116 0.83 CA2 (0.51) MAPTHDAC1HDAC6
SCHEMBL2744384 0.81 MEN1 (0.47) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL17589682 0.81 MAPT (0.42) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19042100 0.81 ITGB1 (0.45) MAPTMEN1KMT2A
SCHEMBL716264 0.80 S1PR1 (0.39) MAPTTP53HDAC1HDAC6MET
SCHEMBL19042144 0.79 CYP4F2 (0.40) MAPTNPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL19244631 0.79 CA12 (0.48) MAPTMEN1RAB9AKMT2AEGFR
SCHEMBL19244630 0.79 ALDH5A1 (0.48) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL17454712 0.78 S1PR1 (0.34) HDAC1HDAC6
SCHEMBL11953398 0.78 MMP3 (0.51) MAPT

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-2012027521-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-01 WO disclosed