SCHEMBL28333323

SCHEMBL28333323

COc1ccccc1NOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 3/20 0.50
CASP6 P55212 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL11236491 0.83 KMT2A (0.48) KMT2AALDH1A1POLBCASP6TDP1
SCHEMBL28316834 0.81 ALDH1A1 (0.49) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL28018573 0.81 KDM4E (0.52) KMT2AALDH1A1POLBCASP6TDP1
SCHEMBL2763507 0.80 KMT2A (0.54) KMT2AALDH1A1POLBSMN1; SMN2MAPT
1,2-Dimethoxybenzene SCHEMBL28254681 0.78 CA1 (0.65) KMT2AALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL30356246 0.77 KMT2A (0.70) KMT2AALDH1A1POLBCASP6TDP1
SCHEMBL171580 0.77 KMT2A (0.70) KMT2AALDH1A1POLBCASP6TDP1
SCHEMBL28333337 0.77 GAA (0.49) KMT2AALDH1A1TDP1MAPTGAA
SCHEMBL11652555 0.76 CA1 (0.55) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL14106778 0.76 CA1 (0.55) KMT2AALDH1A1POLBSMN1; SMN2MAPT

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
CN-110407751-A The preparation method of N- Methoxyphenylamino methyl formate UNIV WUHAN SCIENCE & TECH 2019-11-05 CN claimed
CN-110407751-A The preparation method of N- Methoxyphenylamino methyl formate UNIV WUHAN SCIENCE & TECH 2019-11-05 CN disclosed
CN-110407751-A The preparation method of N- Methoxyphenylamino methyl formate UNIV WUHAN SCIENCE & TECH 2019-11-05 CN disclosed
CN-110407751-A The preparation method of N- Methoxyphenylamino methyl formate UNIV WUHAN SCIENCE & TECH 2019-11-05 CN disclosed