SCHEMBL29639673

SCHEMBL29639673

Cc1cc(CC(F)(F)F)nn1CC=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 2/20 0.34
GLS O94925 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
SCHEMBL1535453 0.78 LMNA (0.50) KDM4EALDH1A1GLALMNA
SCHEMBL114566 0.74 ALDH1A1 (0.70) KDM4EALDH1A1GLALMNAGLS
SCHEMBL19145264 0.73 BCHE (0.46) KDM4EALDH1A1LMNAGLS
SCHEMBL13973012 0.70 KDM4E (0.40) KDM4EALDH1A1GLALMNA
SCHEMBL29955378 0.67 HTT (0.52) KDM4EALDH1A1LMNA
SCHEMBL18611220 0.65 GLS (0.36) KDM4EALDH1A1GLALMNAGLS
SCHEMBL25427773 0.64 KDM4E (0.34) KDM4EALDH1A1GLALMNAGLS
SCHEMBL15898940 0.63 POLB (0.42) KDM4EALDH1A1GLALMNAGLS
SCHEMBL14653936 0.63 GLS (0.35) KDM4EALDH1A1GLALMNAGLS
SCHEMBL27869603 0.62 LMNA (0.48) KDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed