SCHEMBL9039286

SCHEMBL9039286

COC(=O)Cc1cccnc1Oc1cccc(CCl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPK8 P45983 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 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
SCHEMBL9041828 0.89 KMT2A (0.46) KMT2AHPGDTDP1CARM1PRMT6
SCHEMBL9038517 0.86 FFAR1 (0.46) KMT2ATDP1MAPK8MEN1ALDH1A1
SCHEMBL9039983 0.85 MAPK8 (0.47) KMT2AHPGDTDP1CARM1PRMT6
SCHEMBL9041248 0.84 TDP1 (0.53) KMT2ATDP1MAPK8MEN1HTT
SCHEMBL9041764 0.84 TDP1 (0.44) KMT2ATDP1CARM1PRMT6MAPK8
SCHEMBL9043422 0.84 HIF1A (0.48) KMT2ATDP1MAPK8MEN1
SCHEMBL9487325 0.82 TDP1 (0.59) KMT2ATDP1MAPK8MEN1HTT
SCHEMBL18512291 0.78 SLC13A5 (0.50) TDP1MAPK8L3MBTL1LMNA
SCHEMBL1012080 0.76 PPARG (0.41) KMT2AHPGDMAPK8MEN1
SCHEMBL9643091 0.75 MAPK8 (0.47) KMT2AHPGDTDP1MAPK8ALDH1A1

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