SCHEMBL7058699

SCHEMBL7058699

N#CC(C(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.45
TACR1 P25103 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7059291 0.82 ALDH1A1 (0.53) TACR1MEN1KMT2AMAPTALDH1A1
SCHEMBL3206362 0.79 ALDH1A1 (0.46) PTGS1MEN1KMT2AMAPTALDH1A1
SCHEMBL9394219 0.74 FNTA (0.52) TACR1MAPTRAB9APOLBNPC1
SCHEMBL7059223 0.73 ALDH1A1 (0.40) PTGS1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL28468489 0.71 PTGS1 (0.69) PTGS1MEN1KMT2AMAPTALDH1A1
SCHEMBL28762296 0.70 POLB (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9819036 0.69 RAB9A (0.47) TACR1MEN1KMT2AMAPTRAB9A
SCHEMBL5610670 0.68 TACR1 (0.56) PTGS1TACR1MEN1KMT2AMAPT
SCHEMBL9819108 0.68 POLB (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8340565 0.67 HDAC2 (0.46) PTGS1MEN1KMT2AMAPTALDH1A1

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
EP-1156715-B1 USE OF PHENYLACETAMIDES AS PLANT PROTECTIVES HAVING HERBICIDAL AND FUNGICIDAL EFFECT BASF AG (DE) 2003-05-07 EP claimed