SCHEMBL22018650

SCHEMBL22018650

O=C(O)CC[n+]1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA5 P31644 1/20 0.34
EPHX2 P34913 2/20 0.32
MAPK1 P28482 1/20 0.31
FOLH1 Q04609 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SPR P35270 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL22018099 0.81 MAPK1 (0.35) MAPK1FOLH1CYP1A2CYP2C9CYP2C19
SCHEMBL22018315 0.79 MEN1 (0.34) CA2EPHX2MAPK1FOLH1CYP1A2
SCHEMBL22018297 0.78 BAZ2B (0.39) CA2
SCHEMBL22017877 0.78 CTSL (0.35) MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL22018667 0.78 CA1 (0.41) CA2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL22018673 0.78 APOBEC3A (0.52) MAPK1
SCHEMBL22018316 0.78 MAPK1 (0.38) CA2MAPK1FOLH1CYP1A2CYP2C9
SCHEMBL22018672 0.78 SMN1; SMN2 (0.47) CYP1A2CYP2C9CYP2C19
SCHEMBL22018669 0.77 L3MBTL1 (0.50) FOLH1CYP1A2CYP2C19
SCHEMBL22336368 0.75 P4HTM (0.36) GABRA5CYP1A2CYP2C9CYP2C19

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