SCHEMBL27385348

SCHEMBL27385348

CC(C)(C(=O)OCc1ccccc1)C1NCNCN1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16370709 0.78 ALDH1A1 (0.51) HTR2CALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL20288253 0.76 HTR2C (0.47) HTR2CALDH1A1TSHRSMN1; SMN2
SCHEMBL15492552 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL991531 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL522510 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL25130949 0.73 TSHR (0.44) HTR2CALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL15105937 0.72 CYP3A4 (0.46) HTR2CALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL1706652 0.72 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL24347012 0.72 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL3756497 0.72 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066443-C 1,3-oxazin-4-one deriuatives as herbicides RHONE POULENC AGRICULTURE (GB) 2001-05-30 CN disclosed
CN-1193970-A 1, 3-oxazin-4-one derivative herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN disclosed