SCHEMBL24730604

SCHEMBL24730604

O=C(Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RHOC P08134 5/20 0.45
RHOA P61586 5/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL29948521 1.00 MEN1 (0.45) MEN1KMT2ARHOCRHOALMNA
SCHEMBL24730176 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948381 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948500 0.92 CYP1A2 (0.47) MEN1KMT2ARHOCRHOALMNA
SCHEMBL24730250 0.92 CYP1A2 (0.47) MEN1KMT2ARHOCRHOALMNA
SCHEMBL24730233 0.90 MEN1 (0.48) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948577 0.90 MEN1 (0.48) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730134 0.87 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948343 0.87 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730151 0.86 KCNQ3 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed