SCHEMBL29948434

SCHEMBL29948434

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1Cl)c1ccc(NC(=O)C(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDK1 Q15118 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
SMO Q99835 2/20 0.34
GRM4 Q14833 1/20 0.34
PYGL P06737 1/20 0.34
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33

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
SCHEMBL24730802 1.00 MEN1 (0.39) MEN1KMT2ALMNATRPV1PDK1
SCHEMBL24730156 0.94 MEN1 (0.38) MEN1KMT2ALMNATRPV1PDK1
SCHEMBL29948533 0.91 BRAF (0.39) MEN1KMT2ALMNATRPV1PDK1
SCHEMBL24730814 0.90 MEN1 (0.42) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948370 0.90 MEN1 (0.42) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948418 0.90 HDAC1 (0.43) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730081 0.90 HDAC1 (0.43) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730607 0.89 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948411 0.89 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730718 0.87 MEN1 (0.38) MEN1KMT2ALMNATRPV1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed