SCHEMBL29948375

SCHEMBL29948375

O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)cc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
RORC P51449 1/20 0.55
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL24730069 1.00 MAPT (0.60) MAPTHTTMEN1KMT2APDK1
SCHEMBL403355 0.89 MAPT (0.63) MAPTHTTMEN1KMT2APDK1
SCHEMBL29948484 0.89 MAPT (0.63) MAPTHTTMEN1KMT2APDK1
SCHEMBL15668446 0.88 KMT2A (0.65) MAPTHTTMEN1KMT2APDK1
SCHEMBL10981544 0.86 MAPT (0.69) MAPTHTTMEN1KMT2APDK1
SCHEMBL19148638 0.84 MAPT (0.64) MAPTHTTMEN1KMT2APDK1
SCHEMBL15668406 0.83 MAPT (0.66) MAPTHTTMEN1KMT2APDK1
SCHEMBL402139 0.83 MAPT (0.77) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL8056768 0.82 MAPT (0.58) MAPTHTTMEN1KMT2APDK1
SCHEMBL10224187 0.81 MAPT (0.67) MAPTHTTMEN1KMT2APDK1

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 3 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
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed