SCHEMBL2339682

SCHEMBL2339682

C=CC(=O)N([C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
TRPM8 Q7Z2W7 3/20 0.38
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
GSTO1 P78417 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3664780 0.77 NPSR1 (0.46) NPSR1TRPM8ALDH1A1NPC1POLB
SCHEMBL17591554 0.75 AKT1 (0.52) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL1629579 0.75 TRPM8 (0.57) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL3239982 0.75 NPSR1 (0.44) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL648421 0.74 AKT1 (0.45) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL5774899 0.74 NPSR1 (0.43) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL4681303 0.73 HPGD (0.45) ALDH1A1POLBHTTRAB9AGLA
SCHEMBL7864460 0.72 NPSR1 (0.46) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL6843946 0.72 NPSR1 (0.64) NPSR1TRPM8ALDH1A1NPC1POLB
SCHEMBL6611167 0.72 AKT1 (0.43) AKT1NPSR1TRPM8TGM2ALDH1A1

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
EP-2358845-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2011-08-24 EP claimed
WO-2010065406-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO claimed