SCHEMBL6695494

SCHEMBL6695494

COc1ccc(N(C(=N)N)C(N)=O)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PLAU P00749 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AOC3 Q16853 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
TPMT P51580 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL6692844 0.76 HTT (0.42) MAPTHTTTSHRCYP3A4CA9
SCHEMBL6696687 0.74 CYP1A2 (0.44) MAPTTDP1TSHRCYP1A2CYP3A4
SCHEMBL6695376 0.71 CA12 (0.39) MAPTTDP1SMN1; SMN2HTTCYP1A2
SCHEMBL6694010 0.69 TP53 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C19CA12
SCHEMBL3066536 0.68 MAPT (0.36) MAPTTDP1SMN1; SMN2TSHRCYP1A2
SCHEMBL660605 0.67 MAPT (0.55) MAPTTDP1ABCG2SMN1; SMN2CYP1A2
SCHEMBL28104077 0.67 MAPT (0.46) MAPTTDP1PLAUAOC3SMN1; SMN2
SCHEMBL16541046 0.67 MAPT (0.42) MAPTTDP1AOC3CYP1A2TUBB1
SCHEMBL30701949 0.66 CA9 (0.50) MAPTTDP1ABCG2AOC3SMN1; SMN2
SCHEMBL3674074 0.66 CA9 (0.50) MAPTTDP1ABCG2AOC3SMN1; SMN2

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
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed