SCHEMBL29948422

SCHEMBL29948422

CC(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
POLB P06746 1/20 0.57
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.48

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
SCHEMBL24730177 1.00 KMT2A (0.76) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL24186278 0.81 KMT2A (0.83) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL27137471 0.79 KMT2A (0.69) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL26727168 0.78 KMT2A (0.71) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL16098940 0.78 KMT2A (0.71) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL6163236 0.78 KMT2A (0.67) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL1817100 0.77 PDK1 (0.76) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL24894065 0.75 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1
SCHEMBL29948544 0.75 KMT2A (0.46) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL23412864 0.75 KMT2A (0.67) KMT2AMEN1PDK1PDK2PDK3

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