SCHEMBL29948498

SCHEMBL29948498

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
HTR2A P28223 1/20 0.39
BRAF P15056 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
GRM4 Q14833 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
SCHEMBL24730151 1.00 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL24730084 0.90 MEN1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL29948503 0.90 MEN1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL29948381 0.89 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730176 0.89 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730195 0.87 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948482 0.87 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948485 0.86 MEN1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL24730604 0.86 MEN1 (0.45) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948521 0.86 MEN1 (0.45) 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