SCHEMBL9550219

SCHEMBL9550219

COC(=O)/C(=C\O)N(C)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
PPP1CA P62136 2/20 0.34
MAPT P10636 1/20 0.34
SLC6A3 Q01959 8/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
RPA1 P27694 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
RCE1 Q9Y256 1/20 0.33
GRM5 P41594 1/20 0.33
MGLL Q99685 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
SCHEMBL9196573 1.00 NOTUM (0.36) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9550231 0.90 NOTUM (0.35) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9550199 0.90 MAPT (0.40) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9191640 0.90 MAPT (0.40) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9550191 0.76 MEN1 (0.39) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9550229 0.76 NOTUM (0.34) NOTUMPPP1CAMAPTSLC6A3SLC6A4
SCHEMBL9645802 0.72 ABL1 (0.49) MAPTKDM4EPKMRCE1
SCHEMBL9730171 0.72 ABL1 (0.49) MAPTKDM4EPKMRCE1
SCHEMBL25221707 0.71 NOTUM (0.56) NOTUMPPP1CASLC6A3SLC6A4SLC6A2
SCHEMBL30982319 0.71 NOTUM (0.56) NOTUMPPP1CASLC6A3SLC6A4SLC6A2

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
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed