SCHEMBL8465310

SCHEMBL8465310

CC1C(=O)NC(=O)N1c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.47
QPCT Q16769 2/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MGLL Q99685 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 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
SCHEMBL8922125 0.81 GAA (0.46) HSD11B1CACNA1BAPBA1MEN1KMT2A
SCHEMBL3109771 0.81 GAA (0.46) HSD11B1CACNA1BAPBA1MEN1KMT2A
SCHEMBL17841217 0.74 HPGD (0.37) HSD11B1QPCTCACNA1BAPBA1TDP1
SCHEMBL850280 0.71 TSHR (0.43) QPCTMEN1KMT2ANPC1RAB9A
SCHEMBL103160 0.68 CYP2A6 (0.37)
SCHEMBL1260122 0.67 PER2 (0.44) HSD11B1MEN1HTR7KMT2AGFER
SCHEMBL16480393 0.66 TDP1 (0.47) HSD11B1TDP1MEN1HTR7KMT2A
SCHEMBL22904243 0.63 NOTUM (0.42) CACNA1BAPBA1MGLLTDP1MEN1
SCHEMBL25248589 0.62 AR (0.57) HSD11B1CACNA1BAPBA1MGLLMEN1
SCHEMBL17047808 0.61 HSD11B1 (0.41) HSD11B1CACNA1BAPBA1MGLLTDP1

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
EP-0946093-A2 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO S.p.A. (IT) 1999-10-06 EP claimed
WO-1998026654-A2 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO S.P.A. (IT) 1998-06-25 WO claimed
EP-0946093-A2 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO S.p.A. (IT) 1999-10-06 EP disclosed
WO-1998026654-A2 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO S.P.A. (IT) 1998-06-25 WO disclosed