SCHEMBL29948544

SCHEMBL29948544

CC(CC(=O)N(C)c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL29948419 0.81 HSD11B1 (0.36) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL8877704 0.76 HSD17B10 (0.51) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL24730177 0.75 KMT2A (0.76) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL29948422 0.75 KMT2A (0.76) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL1819031 0.73 PDK1 (0.45) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL29274435 0.71 ATM (0.45) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL9714022 0.70 HSD17B10 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11441350 0.70 ALDH1A1 (0.48) KMT2AALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL18048843 0.67 HSD17B10 (0.51) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL11929092 0.67 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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