SCHEMBL26463548

SCHEMBL26463548

C=C(CCC(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
PARP1 P09874 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7990104 0.84 MAOA (0.56) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL3383700 0.83 NR4A2 (0.61) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL27579430 0.81 MAOA (0.55) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL14565162 0.79 ALDH1A1 (0.50) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL5924614 0.79 ALDH1A1 (0.44) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL660788 0.78 NR4A2 (0.68) MAPTL3MBTL1TDP1POLBCYP3A4
SCHEMBL1536703 0.78 MAOA (0.56) MAOAMAOBMAPTPOLBALDH1A1
SCHEMBL29166026 0.76 NR4A2 (0.53) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL7855197 0.76 MAOA (0.48) MAOAMAOBMAPTL3MBTL1TDP1
SCHEMBL3661482 0.75 L3MBTL1 (0.48) MAPTL3MBTL1TDP1POLBCYP3A4

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-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed