SCHEMBL28967907

SCHEMBL28967907

CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.70
MEN1 O00255 6/20 0.70
L3MBTL1 Q9Y468 6/20 0.70
GAA P10253 2/20 0.62
KAT8 Q9H7Z6 1/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 4/20 0.60
TDP1 Q9NUW8 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 2/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SIRT5 Q9NXA8 1/20 0.54
AMY1A P0DUB6 1/20 0.54
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54

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
SCHEMBL28967911 1.00 KMT2A (0.70) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL16788880 0.86 KMT2A (0.82) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28473982 0.86 KMT2A (0.82) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL29010258 0.86 KMT2A (0.82) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL10035997 0.86 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28967916 0.86 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28476008 0.86 KMT2A (0.81) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL29045556 0.85 KMT2A (0.76) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL29045554 0.85 KMT2A (0.76) KMT2AMEN1L3MBTL1GAAKAT8
SCHEMBL28967918 0.83 KMT2A (0.61) KMT2AMEN1L3MBTL1GAAKAT8

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-115626926-A Method for synthesizing spiro-skeleton containing three continuous stereocenters through stereo divergence 西安交通大学 2023-01-20 CN claimed
CN-115626926-A Method for synthesizing spiro-skeleton containing three continuous stereocenters through stereo divergence 西安交通大学 2023-01-20 CN disclosed