SCHEMBL29328939

SCHEMBL29328939

N=C(I)/C=C(\Nc1ccc(F)cc1)C(O)c1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
KMT2A Q03164 5/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
NFKB1 P19838 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TGM2 P21980 1/20 0.31
CDK2 P24941 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
LMNA P02545 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
MEN1 O00255 3/20 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
SCHEMBL29328949 0.70 CXCR2 (0.34) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19717001 0.63 APLNR (0.53) APLNRALDH1A1
SCHEMBL21831287 0.61 APLNR (0.46) APLNRKMT2AGAA
SCHEMBL18558695 0.61 APLNR (0.50) APLNRRAB9ASMN1; SMN2NPC1
SCHEMBL30910915 0.61 APLNR (0.46) APLNRKMT2AGAA
SCHEMBL14826652 0.60 ALDH1A1 (0.48) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL25203689 0.60 APLNR (0.57) APLNRKMT2AMEN1
SCHEMBL29858360 0.60 APLNR (0.57) APLNRKMT2AMEN1
SCHEMBL1856342 0.60 APLNR (0.57) APLNRKMT2AMEN1
SCHEMBL589519 0.60 APLNR (0.57) APLNRKMT2AMEN1

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