SCHEMBL29948406

SCHEMBL29948406

Cc1c(C(=O)Nc2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)ccc(NC(=O)COCC(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
BRAF P15056 1/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
SMO Q99835 1/20 0.32
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL24729996 1.00 RAB9A (0.35) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL24730028 0.93 HTT (0.40) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL29948402 0.93 HTT (0.40) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL24730078 0.92 MEN1 (0.36) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL29948465 0.92 MEN1 (0.36) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL24730080 0.91 MEN1 (0.36) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL29948522 0.91 MEN1 (0.36) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL29948392 0.88 PYGL (0.38) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL24730079 0.88 PYGL (0.38) RAB9AKMT2AMEN1ALDH1A1RECQL
SCHEMBL20051620 0.87 KMT2A (0.35) 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