SCHEMBL29329013

SCHEMBL29329013

CCOC(=O)C(/C(=C/C(=N)C(F)(F)F)NCc1ccc(OC)cc1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 5/20 0.39
EPHX2 P34913 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29329022 0.69 MAPT (0.43) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL29329154 0.66 CYP1A2 (0.43) RECQLCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL14683660 0.65 ADRB1 (0.46) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL24739559 0.63 ALDH1A1 (0.53) MAPTEPHX2HDAC3HDAC4HDAC1
SCHEMBL29329143 0.62 EPHX2 (0.45) CYP3A4EPHX2ALDH1A1KDM4EMEN1
SCHEMBL29255734 0.62 ALDH1A1 (0.57) EPHX2HDAC3HDAC4HDAC1HDAC6
SCHEMBL506516 0.62 HDAC3 (0.60) EPHX2HDAC3HDAC4HDAC1HDAC6
SCHEMBL2041326 0.62 PPID (0.72) EPHX2MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22481123 0.61 ADRB1 (0.63)
SCHEMBL22481208 0.61 ADRB1 (0.54) CYP1A2CYP3A4CYP2C19

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