SCHEMBL29948514

SCHEMBL29948514

C[C@H](CC(=O)Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 4/20 0.38
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
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL24730169 1.00 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730095 0.93 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948409 0.93 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730175 0.90 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948553 0.86 HTT (0.45) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730206 0.85 KMT2A (0.49) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948348 0.84 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730082 0.82 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL29948450 0.79 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730196 0.78 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1RECQL

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