SCHEMBL10030510

SCHEMBL10030510

CNc1nc(NCCO)c(C#N)c(C)c1N=Nc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CCNA1 P78396 3/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 7/20 0.36
▸ HPGD P15428 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 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
SCHEMBL10034884 0.78 MAPK8 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL10030593 0.78 KDM4E (0.38) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL10034997 0.71 ALDH1A1 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL10035085 0.71 ALDH1A1 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL10034956 0.71 ALDH1A1 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL14004494 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL14004500 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL14004289 0.70 CD40 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL14004288 0.70 CD40 (0.40) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL13848275 0.68 ALPL (0.39) CCNA2CDK2CCNA1ALDH1A1KDM4E

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-1487922-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2012-02-08 — — EP disclosed
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