SCHEMBL10768239

SCHEMBL10768239

COC(=O)C(O)CN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 9/20 0.36
LMNA P02545 4/20 0.36
MMP14 P50281 1/20 0.36
RECQL P46063 2/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 3/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
VCAM1 P19320 1/20 0.32
GLA P06280 1/20 0.32
CRHBP P24387 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
SCHEMBL9588178 0.87 RECQL (0.38) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9588185 0.87 RECQL (0.38) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9588258 0.85 MAPT (0.47) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9588256 0.85 MAPT (0.47) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9587847 0.84 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9587843 0.84 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL30440193 0.84 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL21357364 0.83 ALDH1A1 (0.39) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL12955462 0.83 ALDH1A1 (0.39) MAPTNPC1MAPK1RAB9AALDH1A1
SCHEMBL9587995 0.83 RECQL (0.40) MAPTNPC1MAPK1RAB9AALDH1A1

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-0235939-A2 Thermal transfer printing ZENECA LIMITED (GB) 1987-09-09 EP disclosed