SCHEMBL5276264

SCHEMBL5276264

C[n+]1c2ccccc2c(-c2ccc(NC(=O)CCN)cc2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.63
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TERT O14746 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
Hydrochloric Acid SCHEMBL5409426 0.99 ACHE (0.62) ACHETP53ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5414148 0.97 ACHE (0.60) ACHETP53ALDH1A1MAPTHPGD
SCHEMBL5273957 0.79 ACHE (0.63) ACHE
Hydrochloric Acid SCHEMBL5404008 0.78 ACHE (0.62) ACHE
Hydrochloric Acid SCHEMBL5404002 0.77 HTT (0.47) ACHETP53ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5414835 0.77 ACHE (0.60) ACHE
SCHEMBL26944270 0.71 ACHE (0.62) ACHEMAPTSMN1; SMN2L3MBTL1
SCHEMBL4400398 0.71 L3MBTL1 (0.71) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL8322074 0.70 HDAC3 (0.66) TP53ALDH1A1MAPTHPGDTERT
SCHEMBL3427062 0.70 ACHE (0.55) ACHEMEN1KMT2A

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
EP-1587793-B1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX SA (FR) 2007-11-28 EP disclosed