SCHEMBL29948405

SCHEMBL29948405

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HTT P42858 4/20 0.38
GRM4 Q14833 1/20 0.38
FADS1 O60427 1/20 0.38
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL24730088 1.00 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL24730086 0.92 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL29948396 0.92 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL24730767 0.89 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL29948472 0.89 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18146752 0.89 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18146748 0.89 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18146746 0.89 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL24730126 0.87 MAPT (0.56) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL29948556 0.87 MAPT (0.56) KMT2AMEN1LMNAALDH1A1RECQL

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