SCHEMBL29948348

SCHEMBL29948348

CC(CC(=O)Nc1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1Cl)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 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
SCHEMBL29948409 0.88 MEN1 (0.41) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL24730095 0.88 MEN1 (0.41) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL20050418 0.86 BRAF (0.35) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL24281370 0.86 BRAF (0.35) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL29948514 0.84 MEN1 (0.43) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL24730169 0.84 MEN1 (0.43) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL29948485 0.81 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730156 0.81 MEN1 (0.38) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730161 0.80 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL24730081 0.80 HDAC1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1

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