SCHEMBL29939726

SCHEMBL29939726

COc1ccc(NCCC(=O)N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.48
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
ESR2 Q92731 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
LMNA P02545 2/20 0.46
ALOX5 P09917 1/20 0.45
APP P05067 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL15004695 0.83 MAPT (0.53) MAPTGAAALDH1A1L3MBTL1FFAR1
SCHEMBL3203778 0.81 POLB (0.68) MAPTGAAALDH1A1L3MBTL1FFAR1
SCHEMBL28470217 0.81 MAPT (0.66) MAPTGAAALDH1A1L3MBTL1FFAR1
SCHEMBL30819407 0.81 MAPT (0.66) MAPTGAAALDH1A1L3MBTL1FFAR1
Bromamid SCHEMBL2109348 0.80 FPR3 (0.49) GAAFFAR1NPC1SMN1; SMN2RAB9A
SCHEMBL28904888 0.80 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1FFAR1NPC1
SCHEMBL3140172 0.79 MAPT (0.58) MAPTGAAALDH1A1L3MBTL1FFAR1
SCHEMBL27966155 0.79 MAPT (0.61) MAPTGAAALDH1A1L3MBTL1FFAR1
SCHEMBL3121572 0.77 POLB (0.38) MAPTGAAALDH1A1FFAR1SMN1; SMN2
SCHEMBL1030950 0.76 GAA (1.00) MAPTGAAALDH1A1L3MBTL1NPC1

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-110028422-B Method for catalyzing amino protection by imidazole hydrochloride 重庆医科大学 2022-09-27 CN disclosed