SCHEMBL5744306

SCHEMBL5744306

CO/C=C(/C(=O)OC)c1ccccc1COc1nc(-c2ccc(Cl)cc2Cl)sc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
IL1R1 P14778 1/20 0.38
PRKCA P17252 1/20 0.38
TNFRSF1A P19438 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
GAA P10253 1/20 0.37
SHMT1 P34896 1/20 0.37

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
SCHEMBL5628931 0.92 MRGPRX4 (0.41) CNR1MRGPRX4KDM4EMAPTPRKD3
SCHEMBL5628938 0.92 MRGPRX4 (0.41) CNR1MRGPRX4KDM4EMAPTPRKD3
SCHEMBL5745896 0.79 HRH3 (0.46) MAPTHIF1A
SCHEMBL20822846 0.74 MAPK8 (0.47) KDM4EMAPTGAA
SCHEMBL26935197 0.74 HIF1A (0.40) HIF1A
SCHEMBL7172796 0.73 HIF1A (0.53) HIF1A
SCHEMBL7172790 0.73 HIF1A (0.53) HIF1A
SCHEMBL5741743 0.72 MEN1 (0.47) KDM4EMAPT
SCHEMBL5742294 0.72 KMT2A (0.48) KDM4EMAPTGAA
SCHEMBL19473604 0.72 LMNA (0.40) MRGPRX4HIF1A

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-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed