SCHEMBL29328949

SCHEMBL29328949

N=C(I)/C=C(/Cc1ccc(F)cn1)Nc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.34
CXCR1 P25024 5/20 0.34
GAA P10253 2/20 0.34
NR3C1 P04150 1/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TGM2 P21980 1/20 0.32
HTT P42858 1/20 0.32
CDK2 P24941 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
MEN1 O00255 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL29328913 0.87 ALDH1A1 (0.37) CXCR2CXCR1GAANR3C1RAB9A
SCHEMBL29328939 0.70 APLNR (0.34) GAARAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL21909136 0.67 RAB9A (0.40) CXCR2RAB9ACDK2
SCHEMBL28518685 0.63 GAA (0.54) GAARAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL29535595 0.62 AGBL2 (0.47) RAB9ASMN1; SMN2HTTLMNAP4HTM
SCHEMBL12984381 0.62 AGBL2 (0.47) RAB9ASMN1; SMN2HTTLMNAP4HTM
SCHEMBL14826652 0.61 ALDH1A1 (0.48) GAARAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL9661934 0.61 RAB9A (0.66) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL12986732 0.60 RAB9A (0.40) RAB9A
SCHEMBL1979245 0.60 RAB9A (0.40) RAB9ACDK2

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-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed