SCHEMBL9588258

SCHEMBL9588258

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.37
RECQL P46063 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
VCAM1 P19320 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
SCHEMBL9588256 1.00 MAPT (0.47) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL29804181 0.90 MAPT (0.47) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL15693784 0.89 MAPT (0.37) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL9588178 0.88 RECQL (0.38) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL9588185 0.88 RECQL (0.38) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL9587843 0.86 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL9587847 0.86 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL30440193 0.86 ALDH1A1 (0.37) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL10768239 0.85 MAPT (0.36) MAPTNPC1MAPK1RAB9AMMP14
SCHEMBL12955462 0.85 ALDH1A1 (0.39) MAPTNPC1MAPK1RAB9AMMP14

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
US-5234887-A Sheet coated with a phenyl azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
EP-0235939-A2 Thermal transfer printing ZENECA LIMITED (GB) 1987-09-09 EP disclosed
US-4169705-A Coloration process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-02 US disclosed