SCHEMBL3374081

SCHEMBL3374081

CC(C(N)=O)n1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
LMNA P02545 2/20 0.45
SLC6A4 P31645 9/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 9/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C2 P08235 1/20 0.40
HTT P42858 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
SCHEMBL14683431 1.00 NOTUM (0.47) NOTUMLMNASLC6A4CYP1A2CYP3A4
SCHEMBL10203775 0.84 NOTUM (0.53) NOTUMSLC6A4CYP1A2CYP3A4MAPK1
SCHEMBL526316 0.84 NOTUM (0.49) NOTUMSLC6A4CYP1A2CYP3A4MAPK1
SCHEMBL10165373 0.83 NOTUM (0.47) NOTUMSLC6A4CYP1A2CYP3A4MAPK1
SCHEMBL2870569 0.81 LMNA (0.46) NOTUMLMNASLC6A4SLC6A2KMT2A
SCHEMBL2182449 0.80 NR3C2 (0.53) NOTUMSLC6A4CYP1A2CYP3A4MAPK1
SCHEMBL2006730 0.79 HTR2A (0.48) LMNASLC6A4SLC6A2KMT2AHTT
SCHEMBL14683256 0.78 KMO (0.44) SLC6A4SLC6A2
SCHEMBL14683612 0.78 KMO (0.44) SLC6A4SLC6A2
SCHEMBL2007680 0.78 HTR2A (0.49) SLC6A4SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010047737-A2 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2010-04-29 WO disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed