SCHEMBL29948403

SCHEMBL29948403

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 4/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
P2RY1 P47900 1/20 0.34
PDK1 Q15118 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
SCHEMBL24730196 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29948603 0.88 KMT2A (0.41) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29948409 0.86 MEN1 (0.41) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL24730095 0.86 MEN1 (0.41) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29274459 0.85 MEN1 (0.46) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29274479 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29948508 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL24731583 0.84 MEN1 (0.45) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL24730409 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL29948460 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1RECQLLMNA

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