SCHEMBL22018304

SCHEMBL22018304

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 0.38
EPHX2 P34913 6/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
FOLH1 Q04609 5/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
GCG P01275 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL22018322 0.88 ACR (0.38) GABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL22018316 0.84 MAPK1 (0.38) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL22018099 0.82 MAPK1 (0.35) CYP2C9CYP2C19FOLH1MAPK1CYP1A2
SCHEMBL22017885 0.81 CA1 (0.38) CYP2C9CYP2C19MAPK1CYP1A2KDM4E
SCHEMBL22018315 0.80 MEN1 (0.34) NPC1EPHX2CYP2C9CYP2C19FOLH1
SCHEMBL24145392 0.80 CA1 (0.37) CYP2C9CYP2C19MAPK1CYP1A2KDM4E
SCHEMBL22017884 0.80 MAPK1 (0.35) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL22018692 0.80 MAPK1 (0.37) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL22018688 0.80 MAPK1 (0.37) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL22018297 0.79 BAZ2B (0.39) SMN1; SMN2GRM5KDM4E

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