SCHEMBL28990908

SCHEMBL28990908

O=C(NC(CF)C(F)F)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ACACB O00763 3/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PSMB5 P28074 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL10900406 0.72
SCHEMBL14334779 0.70
SCHEMBL13932857 0.67 TP53 (0.40) KMT2AACACBLMNATP53GAA
SCHEMBL28990931 0.67 HDAC8 (0.46) KMT2ALMNAGAAMEN1SMN1; SMN2
SCHEMBL18343413 0.67 ALDH1A1 (0.33) LMNASMN1; SMN2
SCHEMBL29090598 0.64 EGLN1 (0.42) LMNAGAASMN1; SMN2TDP1
SCHEMBL10076786 0.64 SMN1; SMN2 (0.60) KMT2AACACBLMNAGAAMEN1
SCHEMBL172134 0.64
SCHEMBL29090602 0.64 TGFBR1 (0.44)
SCHEMBL15072471 0.64 KMT2A (0.47) KMT2ASMN1; SMN2POLBPSMB5

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-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN disclosed