SCHEMBL9040313

SCHEMBL9040313

COc1cccc(Oc2ncccc2C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.47
RAB9A P51151 2/20 0.46
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PIN1 Q13526 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 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
SCHEMBL9040386 0.87 LMNA (0.47) LMNAMAPTALDH1A1KMT2ATRIM24
SCHEMBL7366622 0.82 ALDH1A1 (0.44) NFE2L2RAB9ALMNAMAPTALDH1A1
SCHEMBL4993422 0.81 KMT2A (0.55) RAB9ALMNAKDM4EALDH1A1CYP1A2
SCHEMBL209651 0.79 TRIM24 (0.52) NFE2L2RAB9ALMNAKDM4EALDH1A1
SCHEMBL29953915 0.79 TRIM24 (0.52) NFE2L2RAB9ALMNAKDM4EALDH1A1
SCHEMBL7371098 0.77 LMNA (0.47) LMNAALDH1A1KMT2ATRIM24TRIM33
SCHEMBL3216908 0.77 KMT2A (0.55) RAB9ALMNAKDM4EMAPTALDH1A1
SCHEMBL5878669 0.77 KDM4E (0.49) RAB9ALMNAKDM4EMAPTALDH1A1
SCHEMBL4051215 0.77 DYRK1A (0.55) NFE2L2DYRK1ACLK4ALDH1A1ERN1
SCHEMBL7374241 0.75 TDP1 (0.59) RAB9ALMNAKDM4EMAPTMAPK1

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