SCHEMBL25711596

SCHEMBL25711596

CCOC(=O)C(/C(=C/C(=N)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1)c1ncc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.38
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
KCNQ3 O43525 1/20 0.35

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
SCHEMBL25711613 0.91 MAPT (0.45) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29328904 0.87 CYP1A2 (0.45) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25711749 0.84 MEN1 (0.36) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29328896 0.71 MAPT (0.52) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL31505783 0.69 ALDH1A1 (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5438614 0.66 ALDH1A1 (0.41) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29328879 0.65 CYP3A4 (0.37) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1387703 0.65 MAPT (0.52) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL7471768 0.65 MAPT (0.59) MAPTMEN1KMT2ARECQLNPSR1
SCHEMBL29328870 0.64 ALDH1A1 (0.37) KDM4EALDH1A1LMNASMN1; SMN2TRPV1

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-2023099354-A1 HERBICIDAL PYRAZOLE PYRIMIDINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-08 WO disclosed