SCHEMBL25299697

SCHEMBL25299697

O=C(O)C(F)(F)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.41
SLC22A12 Q96S37 1/20 0.37
GRB2 P62993 1/20 0.35
CES2 O00748 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XPO1 O14980 1/20 0.33
FFAR1 O14842 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NFKB1 P19838 3/20 0.32
JUN P05412 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
SMARCA2 P51531 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
SCHEMBL21200280 0.76 S1PR2 (0.35) S1PR2ALDH1A1MAPK1SMN1; SMN2RXRA
SCHEMBL25306629 0.75 GRB2 (0.35) GRB2CES2
SCHEMBL24792648 0.73 ACSS2 (0.46) GPR35ALDH1A1MAPK1SMN1; SMN2BCHE
SCHEMBL29115490 0.73 CES2 (0.62) CES2GPR35RXRARXRBRXRG
SCHEMBL561772 0.72 ALDH1A1 (0.40) CES2GPR35ALDH1A1SMN1; SMN2XPO1
SCHEMBL26105038 0.72 S1PR2 (0.35) S1PR2ALDH1A1RXRARXRBRXRG
SCHEMBL5966766 0.71 CES2 (0.42) GRB2CES2RXRARXRBRXRG
SCHEMBL25259419 0.71 CDK2 (0.36)
SCHEMBL11395905 0.71 TSHR (0.57) ALDH1A1SMN1; SMN2HPGDKCNQ3KCNQ2
SCHEMBL25323803 0.71 KCNQ3 (0.49) GRB2ALDH1A1GLAHPGDKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed