SCHEMBL28800151

SCHEMBL28800151

CN(C=O)CCC(=O)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 4/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 2/20 0.61
CTNNB1 P35222 6/20 0.54
WNT3A P56704 5/20 0.54
HPGD P15428 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC1 Q13547 1/20 0.47
ERCC5 P28715 1/20 0.45

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
SCHEMBL13044823 0.83 LMNA (0.69) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL471019 0.83 ALDH1A1 (0.69) ALDH1A1LMNAKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3303 0.82 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL12719803 0.82 LMNA (0.67) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13536701 0.81 ALDH1A1 (0.65) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL14878250 0.79 LMNA (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL14139292 0.79 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL5021506 0.79 LMNA (0.62) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13562555 0.78 LMNA (0.61) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13536765 0.78 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ANPC1RAB9A

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-114790146-B Preparation method of 3- (methylamino) -1-aryl acetone 河南省科学院高新技术研究中心 2024-03-29 CN disclosed
CN-114790146-A Preparation method of 3- (methylamino) -1-aryl acetone 河南省科学院高新技术研究中心 2022-07-26 CN disclosed