SCHEMBL29948565

SCHEMBL29948565

O=C(CC(F)(F)F)Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL24730194 1.00 MEN1 (0.45) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730392 0.91 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948380 0.91 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24731584 0.86 KMT2A (0.50) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29274479 0.86 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948508 0.86 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL18147876 0.86 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL18147873 0.86 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL18147871 0.86 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730095 0.85 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1RECQL

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