SCHEMBL29948396

SCHEMBL29948396

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
MEN1 O00255 6/20 0.51
LMNA P02545 2/20 0.51
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.46
GRM4 Q14833 1/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 1/20 0.45
KCNMA1 Q12791 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PNLIP P16233 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
FADS1 O60427 1/20 0.41

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
SCHEMBL24730086 1.00 KMT2A (0.51) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL24730088 0.92 KMT2A (0.47) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL29948405 0.92 KMT2A (0.47) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL29948556 0.91 MAPT (0.56) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL24730126 0.91 MAPT (0.56) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL29948394 0.90 KMT2A (0.51) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL24730592 0.89 KMT2A (0.50) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL29948604 0.89 KMT2A (0.50) KMT2AMEN1LMNATRPV1ALDH1A1
SCHEMBL24730767 0.89 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL29948472 0.89 MEN1 (0.49) 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