SCHEMBL22018316

SCHEMBL22018316

CC(=O)CCNC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
FOLH1 Q04609 2/20 0.34
GCG P01275 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL22018315 0.88 MEN1 (0.34) MAPK1CYP1A2CA1CA2CYP2C9
SCHEMBL22018099 0.85 MAPK1 (0.35) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL22017885 0.84 CA1 (0.38) MAPK1CYP1A2CA1CA2CYP2C9
SCHEMBL22018304 0.84 GABRA5 (0.39) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL24145392 0.83 CA1 (0.37) MAPK1CYP1A2CA1CA2CYP2C9
SCHEMBL22017884 0.83 MAPK1 (0.35) MAPK1CYP1A2CA1CA2CYP2C9
SCHEMBL22018688 0.82 MAPK1 (0.37) MAPK1CYP1A2CA1CA2CYP2C9
SCHEMBL22018297 0.82 BAZ2B (0.39) CA2KDM4EHPGDPOLBHDAC6
SCHEMBL22017877 0.82 CTSL (0.35) MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL22018667 0.82 CA1 (0.41) MAPK1CYP1A2CA1CA2CYP2C9

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed