SCHEMBL8980406

SCHEMBL8980406

CCN(CC)C(=O)c1cc2c(cc1N)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MAPT P10636 4/20 0.44
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 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
SCHEMBL8961789 0.79 ALDH1A1 (0.45) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL209949 0.78 ALDH1A1 (0.53) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL30014749 0.78 ALDH1A1 (0.53) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL8802888 0.76 ALDH1A1 (0.56) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL7018429 0.75 ALDH1A1 (0.50) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL29590055 0.75 ALDH1A1 (0.50) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL7668928 0.75 MAPT (0.50) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL6840865 0.75 KDM4E (0.50) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL9488344 0.74 HPGD (0.79) NPC1RAB9AHPGDALDH1A1TRPM8
SCHEMBL21450331 0.73 ALDH1A1 (0.45) NPC1RAB9AHPGDKDM4EALDH1A1

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
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed