SCHEMBL29948419

SCHEMBL29948419

CC(CC(=O)N(C)c1cc(N)ccc1Cl)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
TACR1 P25103 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32

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
SCHEMBL29948544 0.81 KMT2A (0.46) HSD11B1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4015170 0.73 FSCN1 (0.54) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL2258320 0.65 CYP3A4 (0.52) KDM4EALDH1A1KMT2AMAPTCYP3A4
SCHEMBL24730596 0.63 MEN1 (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2714813 0.63 CHRNB2 (0.40) TACR1MEN1KMT2ACHRNA4
SCHEMBL11406521 0.62 FSCN1 (0.49) KDM4EMEN1ALDH1A1KMT2AGABRP
SCHEMBL1450219 0.62 NOS2 (0.49) ALDH1A1KMT2ASMN1; SMN2CYP3A4
SCHEMBL18048552 0.62 TSHR (0.43) HSD11B1MEN1ALDH1A1KMT2AHTR3A
SCHEMBL13560296 0.61
SCHEMBL12627979 0.61 NR1H2 (0.37) HSD11B1ALDH1A1CHRM2CHRM3MAOA

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