SCHEMBL27324937

SCHEMBL27324937

O=C(/C=C/C(=O)ON(c1ccccc1)c1ccccc1)ON(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TRPM8 Q7Z2W7 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 4/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL4428614 0.80 NPSR1 (0.44) NPSR1MAPTHSD17B10ATMTDP1
SCHEMBL28581000 0.79 NPSR1 (0.48) NPSR1TRPM8KDM4EHPGDATM
SCHEMBL9348371 0.79 NPSR1 (0.48) NPSR1TRPM8KDM4EHPGDATM
SCHEMBL744078 0.79 NPSR1 (0.40) NPSR1TRPM8MAPTKDM4EHPGD
SCHEMBL11361015 0.79 NPSR1 (0.40) NPSR1TRPM8MAPTKDM4EHPGD
SCHEMBL742918 0.79 NPSR1 (0.40) NPSR1TRPM8MAPTKDM4EHPGD
SCHEMBL4467640 0.76 NPSR1 (0.44) NPSR1KDM4EHPGDHSD17B10ATM
SCHEMBL6851360 0.76 LMNA (0.56) NPSR1MAPTHSD17B10TDP1ALDH1A1
SCHEMBL28777147 0.72 NPSR1 (0.41) NPSR1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL14693878 0.72 ATM (0.42) NPSR1ATMTDP1L3MBTL1ALDH1A1

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
CN-1028521-C Therapeutic agents BOOTS CO PLC (GB) 1995-05-24 CN disclosed
CN-1072173-A Therapeutical agent BOOTS CO PLC (GB) 1993-05-19 CN disclosed