SCHEMBL29329154

SCHEMBL29329154

CCOC(=O)C(/C(=C/C(=N)C(F)F)NCc1ccc(OC)cc1)c1ncc(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 1/20 0.43
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
P2RY12 Q9H244 1/20 0.39
ALOX15 P16050 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
VNN1 O95497 2/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL29329158 0.88 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19RECQLS1PR1
SCHEMBL29329163 0.77 MAPT (0.40) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL896613 0.74 S1PR3 (0.53) CYP1A2CYP3A4CYP2C19RECQLS1PR1
SCHEMBL29329143 0.72 EPHX2 (0.45) CYP3A4EPHX2TP53GAASMN1; SMN2
SCHEMBL30999701 0.70 S1PR1 (0.41) S1PR1S1PR3MAPTSMN1; SMN2POLB
SCHEMBL30999703 0.70 S1PR1 (0.41) S1PR1S1PR3MAPTSMN1; SMN2POLB
SCHEMBL29328904 0.69 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19RECQLS1PR1
SCHEMBL29329013 0.66 RECQL (0.39) CYP1A2CYP3A4CYP2C19RECQLEPHX2
SCHEMBL29188889 0.62 S1PR3 (0.48) S1PR1S1PR3MAPTGAASMN1; SMN2
SCHEMBL12985296 0.62 MEN1 (0.44) CYP1A2CYP3A4CYP2C19RECQLS1PR1

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
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed