SCHEMBL29948522

SCHEMBL29948522

O=C(COCC(F)(F)F)Nc1ccc(C(=O)Nc2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL24730080 1.00 MEN1 (0.36) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL29948477 0.92 HTT (0.40) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL24730077 0.92 HTT (0.40) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL29948406 0.91 RAB9A (0.35) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL24729996 0.91 RAB9A (0.35) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL24730718 0.90 MEN1 (0.38) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL29948331 0.90 MEN1 (0.38) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL29948427 0.87 MEN1 (0.36) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL24730081 0.87 HDAC1 (0.43) MEN1KMT2ALMNATRPV1MAPT
SCHEMBL24730814 0.87 MEN1 (0.42) MEN1KMT2ALMNATRPV1MAPT

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