SCHEMBL29948411

SCHEMBL29948411

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 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
SMO Q99835 1/20 0.35
HDAC1 Q13547 2/20 0.35
GRM4 Q14833 1/20 0.35
FADS1 O60427 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL24730607 1.00 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948529 0.90 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948370 0.90 MEN1 (0.42) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730161 0.90 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730814 0.90 MEN1 (0.42) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29948418 0.90 HDAC1 (0.43) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL24730081 0.90 HDAC1 (0.43) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL21450001 0.90 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL21449944 0.90 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1
SCHEMBL29995395 0.90 MEN1 (0.40) MEN1KMT2ALMNATRPV1ALDH1A1

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