SCHEMBL8773972

SCHEMBL8773972

COC(=O)Cc1cccc(NC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
USP2 O75604 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
HSP90AB1 P08238 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
HPGD P15428 1/20 0.44
STAT3 P40763 1/20 0.43
CCKBR P32239 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL30488135 0.88 ALDH1A1 (0.58) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL25269919 0.88 ALDH1A1 (0.58) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL17653723 0.86 SLC7A5 (0.55) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL30489996 0.86 SLC7A5 (0.55) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL17869670 0.84 SLC7A5 (0.56) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL11509798 0.84 NOS3 (0.48) SMN1; SMN2KMT2ALMNAHTTALDH1A1
SCHEMBL11627789 0.83 CSNK2A1 (0.54) SMN1; SMN2KMT2ALMNAHTTGAA
SCHEMBL11628350 0.83 SLC7A5 (0.52) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL8686054 0.82 SLC7A5 (0.59) SLC7A5SMN1; SMN2KMT2ALMNAHTT
SCHEMBL693860 0.82 SLC7A5 (0.54) SLC7A5SMN1; SMN2KMT2ALMNAHTT

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed