SCHEMBL10517652

SCHEMBL10517652

COC=C(C(=O)OC)c1cccnc1Oc1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPK8 P45983 3/20 0.49
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL10517640 1.00 TDP1 (0.50) TDP1MAPK8KMT2AHPGDMEN1
SCHEMBL10517647 1.00 TDP1 (0.50) TDP1MAPK8KMT2AHPGDMEN1
SCHEMBL9643587 0.94 TDP1 (0.49) TDP1MAPK8KMT2AHPGDMEN1
SCHEMBL9643568 0.94 TDP1 (0.49) TDP1MAPK8KMT2AHPGDMEN1
SCHEMBL9040269 0.92 TDP1 (0.58) TDP1MAPK8KMT2AALDH1A1MAPT
SCHEMBL9040273 0.92 TDP1 (0.58) TDP1MAPK8KMT2AALDH1A1MAPT
SCHEMBL9487135 0.90 ALDH1A1 (0.49) TDP1MAPK8KMT2AHTTALDH1A1
SCHEMBL9487122 0.90 ALDH1A1 (0.49) TDP1MAPK8KMT2AHTTALDH1A1
SCHEMBL9487132 0.90 ALDH1A1 (0.49) TDP1MAPK8KMT2AHTTALDH1A1
SCHEMBL9486942 0.90 TDP1 (0.49) TDP1MAPK8KMT2AHPGDALDH1A1

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
EP-0312243-A2 Methyl 2-[2-(3-substituted phenoxy)pyridin-3-yl]-3-methoxypropenoatesand their use as fungicides ZENECA LIMITED (GB) 1989-04-19 EP disclosed