SCHEMBL27397478

SCHEMBL27397478

CN(C)C(=O)CNC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PAM P19021 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
TNKS O95271 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL6661240 0.80 PAM (0.52) NPC1RAB9AGLATDP1HAO1
SCHEMBL6661243 0.80 PAM (0.52) NPC1RAB9AGLATDP1HAO1
SCHEMBL10458424 0.79 SMN1; SMN2 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL27502891 0.78 NPC1 (0.46) NPC1RAB9AGLATDP1HAO1
SCHEMBL17486793 0.78 KMT2A (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL27835867 0.77 HTT (0.49) NPC1RAB9AGLATDP1HAO1
Hydrochloric Acid SCHEMBL27503547 0.77 NPC1 (0.45) NPC1RAB9AGLATDP1HAO1
SCHEMBL19398199 0.75 NPC1 (0.59) NPC1RAB9AL3MBTL1GLATDP1
SCHEMBL11689773 0.75 HAO1 (0.64) NPC1RAB9AL3MBTL1GLATDP1
SCHEMBL1507314 0.74 MAOB (0.44) NPC1RAB9AL3MBTL1GLATDP1

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-1090278-A Blood vessel tension peptide protoenzyme inhibitor-N-(2-amino-2-oxygen ethyl) succinic diamide derivative BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-08-03 CN disclosed