Flufenacet

Flufenacet

SCHEMBL28619978

CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1.NC(=O)C(F)c1ccccc1

nearest known ligand 0.80

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
MLYCD O95822 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
MC4R P32245 3/20 0.33
MC1R Q01726 3/20 0.33
NPSR1 Q6W5P4 1/20 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
Flufenacet SCHEMBL28200397 0.90 MLYCD (0.32) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL4897219 0.90 MLYCD (0.34) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL116467 0.90 MLYCD (0.34) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL19838480 0.89 MLYCD (0.33) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL26967734 0.89 MLYCD (0.35) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL28743320 0.89 MLYCD (0.34) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL7205592 0.89 MLYCD (0.34) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL28095406 0.89 MLYCD (0.34) BACE1MLYCDMEN1KMT2AALDH1A1
Flufenacet SCHEMBL28646237 0.88 MLYCD (0.31) BACE1MLYCDMEN1KMT2AALDH1A1
SCHEMBL3038805 0.87 ALDH1A1 (0.45) MLYCDMEN1KMT2AALDH1A1ATM

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
CN-110997839-B Silicone-polyether copolymer, method of preparing silicone-polyether copolymer, and sealant including silicone-polyether copolymer 美国陶氏有机硅公司 2021-09-14 CN disclosed
CN-110997840-B Silicone-polyether copolymers, isocyanate-functionalized silicone-polyether copolymers formed therewith, silicone-polyether-urethane copolymers, sealants including the same, and related methods 美国陶氏有机硅公司 2021-09-07 CN disclosed