Acetone

Acetone

SCHEMBL11047322

CC(C)=O.NC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
MAPT P10636 5/20 0.65
LMNA P02545 3/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
F13A1 P00488 1/20 0.55
TGM2 P21980 1/20 0.55

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
SCHEMBL167193 0.94 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
Ammonia Solution, Strong SCHEMBL28790660 0.93 MEN1 (0.69) MEN1KMT2AMAPTLMNAHTT
O-Xylene SCHEMBL11044886 0.88 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL357999 0.83 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL3690365 0.80 MAPT (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7173339 0.80 MEN1 (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8532903 0.79 ALDH1A1 (0.67) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2682054 0.79 KMT2A (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4108214 0.78 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11449846 0.78 IDO1 (0.66) MEN1KMT2AMAPTLMNAHTT

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
US-RE31550-E N-(2-Chloro-4-pyridyl) ureas Shudo, Koichi (JP) 1984-04-10 US disclosed