SCHEMBL29948558

SCHEMBL29948558

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CSF1R P07333 1/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL24730087 1.00 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730134 0.91 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948343 0.91 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948482 0.89 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730195 0.89 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730155 0.89 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948365 0.89 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29948391 0.89 KMT2A (0.58) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730132 0.89 KMT2A (0.58) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL24730084 0.88 MEN1 (0.47) 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 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