SCHEMBL28353264

SCHEMBL28353264

O=C1C=CC(=O)N1c1ccc(-c2ncncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.56
FAAH O00519 5/20 0.56
BCHE P06276 1/20 0.52
DDAH1 O94760 1/20 0.47
HSP90AA1 P07900 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CCR6 P51684 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL19511560 0.77 MGLL (0.83) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL21630074 0.77 MGLL (0.83) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL1321309 0.77 MGLL (0.83) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL1421973 0.74 NPC1 (0.40) HSP90AA1PKMMAPK1ALDH1A1LMNA
SCHEMBL95324 0.74 MGLL (1.00) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL4537345 0.72 MGLL (0.60) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL21993642 0.70 MGLL (1.00) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL9719419 0.70 MGLL (1.00) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL30104194 0.69 MGLL (0.60) MGLLFAAHBCHEDDAH1HSP90AA1
SCHEMBL13056453 0.69 MGLL (0.66) MGLLFAAHDDAH1HSP90AA1PKM

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
CN-110627779-A Preparation method of maleimide biphenyl diphenol type benzoxazine monomer 成都师范学院 2019-12-31 CN disclosed