SCHEMBL29948402

SCHEMBL29948402

COCC(=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(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 3/20 0.34
PTGES O14684 1/20 0.33
BRAF P15056 1/20 0.33
MAPK1 P28482 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL24730028 1.00 HTT (0.40) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL24729996 0.93 RAB9A (0.35) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL29948406 0.93 RAB9A (0.35) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL29948465 0.91 MEN1 (0.36) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL24730078 0.91 MEN1 (0.36) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL24730077 0.91 HTT (0.40) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL29948477 0.91 HTT (0.40) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL24730158 0.91 BRAF (0.40) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL29948441 0.91 BRAF (0.40) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL24730079 0.90 PYGL (0.38) HTTKMT2AMEN1MAPTALDH1A1

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