SCHEMBL29948443

SCHEMBL29948443

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1F)c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 4/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL24729771 1.00 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730134 0.93 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948343 0.93 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948398 0.88 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730022 0.88 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730890 0.86 MEN1 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730082 0.85 MEN1 (0.52) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948577 0.85 MEN1 (0.48) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730233 0.85 MEN1 (0.48) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730195 0.84 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1

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