SCHEMBL29948485

SCHEMBL29948485

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1Cl)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM4 Q14833 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDR P35968 2/20 0.35

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
SCHEMBL24730868 0.87 KCNQ3 (0.42) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730862 0.87 KCNQ3 (0.42) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730160 0.87 KCNQ3 (0.42) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948498 0.86 KCNQ3 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730151 0.86 KCNQ3 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948343 0.86 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730134 0.86 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730081 0.84 HDAC1 (0.43) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730814 0.84 MEN1 (0.42) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730607 0.84 MEN1 (0.40) 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