SCHEMBL29948398

SCHEMBL29948398

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1F)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.41
HTT P42858 4/20 0.41
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL24730022 1.00 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730767 0.94 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948472 0.94 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948443 0.88 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24729771 0.88 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730082 0.85 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948405 0.83 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730088 0.83 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL18146364 0.83 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL18146363 0.83 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1RECQL

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