SCHEMBL9039983

SCHEMBL9039983

COC(=O)Cc1cccnc1Oc1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
P2RY1 P47900 1/20 0.43
LMNA P02545 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MTNR1B P49286 3/20 0.42
MTNR1A P48039 2/20 0.42
GRM4 Q14833 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL9041248 0.91 TDP1 (0.53) MAPK8KMT2AMEN1TDP1MAPK1
SCHEMBL9041764 0.89 TDP1 (0.44) MAPK8KMT2AMEN1TDP1PDE4A
SCHEMBL4055920 0.88 LMNA (0.51) MAPK8KMT2AMEN1HPGDTDP1
SCHEMBL9487325 0.87 TDP1 (0.59) MAPK8KMT2AMEN1TDP1MAPK1
SCHEMBL9041828 0.86 KMT2A (0.46) MAPK8KMT2AMEN1HPGDTDP1
SCHEMBL9043422 0.86 HIF1A (0.48) MAPK8KMT2AMEN1TDP1PDE4A
SCHEMBL9039286 0.85 KMT2A (0.43) MAPK8KMT2AMEN1HPGDTDP1
SCHEMBL9038517 0.83 FFAR1 (0.46) MAPK8KMT2AMEN1TDP1PDE4A
SCHEMBL18512291 0.82 SLC13A5 (0.50) MAPK8TDP1LMNAPKM
SCHEMBL8002569 0.79 MTNR1B (0.54) KMT2AMEN1HPGDTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312243-B1 Methyl 2-[2-(3-substituted phenoxy)pyridin-3-yl]-3-methoxypropenoatesand their use as fungicides ZENECA LTD (GB) 1996-08-07 EP disclosed
US-5198444-A Methyl α-(2-substituted)pyrid-3-yl-β-methoxyacrylates, compositions containing them and their use as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5158954-A For agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-27 US disclosed
US-5008276-A Plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-16 US disclosed
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