SCHEMBL9587765

SCHEMBL9587765

COC(=O)/C(=C\O)N(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NOTUM Q6P988 1/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KMO O15229 2/20 0.35
BRAF P15056 3/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ABL1 P00519 1/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
HPN P05981 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL9362075 1.00 KDM4E (0.42) KDM4EPKMRCE1NOTUMMAPT
SCHEMBL9130056 0.85 KDM4E (0.40) KDM4EPKMRCE1NOTUMMAPT
SCHEMBL9130059 0.85 KDM4E (0.40) KDM4EPKMRCE1NOTUMMAPT
SCHEMBL9645802 0.80 ABL1 (0.49) KDM4EPKMRCE1MAPTKMT2A
SCHEMBL9730171 0.80 ABL1 (0.49) KDM4EPKMRCE1MAPTKMT2A
SCHEMBL9550244 0.78 SMN1; SMN2 (0.38) KDM4EPKMMAPTKMT2AMEN1
SCHEMBL9196621 0.78 SMN1; SMN2 (0.38) KDM4EPKMMAPTKMT2AMEN1
SCHEMBL9730555 0.72 ABL1 (0.50) KDM4EPKMRCE1MAPTKMT2A
SCHEMBL9196573 0.71 NOTUM (0.36) KDM4EPKMRCE1NOTUMMAPT
SCHEMBL9550219 0.71 NOTUM (0.36) KDM4EPKMRCE1NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254693-A Fungicidal substituted acrylic esters BAYER AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
US-5114959-A FUNGICIDAL SUBSTITUTED ACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed