SCHEMBL29948418

SCHEMBL29948418

CC(=O)Nc1ccc(C(=O)Nc2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
PYGL P06737 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL24730081 1.00 HDAC1 (0.43) HDAC1PYGLKMT2AMEN1LMNA
SCHEMBL24730814 0.92 MEN1 (0.42) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL29948370 0.92 MEN1 (0.42) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL24730156 0.90 MEN1 (0.38) HDAC1PYGLKMT2AMEN1LMNA
SCHEMBL29948392 0.90 PYGL (0.38) HDAC1PYGLKMT2AMEN1LMNA
SCHEMBL24730079 0.90 PYGL (0.38) HDAC1PYGLKMT2AMEN1LMNA
SCHEMBL29948434 0.90 MEN1 (0.39) PYGLKMT2AMEN1LMNAMAPT
SCHEMBL24730802 0.90 MEN1 (0.39) PYGLKMT2AMEN1LMNAMAPT
SCHEMBL24730607 0.90 MEN1 (0.40) HDAC1KMT2AMEN1LMNAMAPT
SCHEMBL29948411 0.90 MEN1 (0.40) HDAC1KMT2AMEN1LMNAMAPT

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