SCHEMBL10034884

SCHEMBL10034884

Cc1c(C#N)c(NCCO)nc(NCCO)c1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N/c3c(NCCO)nc(NCCO)c(C#N)c3C)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.40
▸ MAPK9 P45984 7/20 0.40
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ENPP1 P22413 1/20 0.35
▸ MAPK10 P53779 3/20 0.35
▸ AURKA O14965 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL14004289 0.85 CD40 (0.40) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL14004288 0.85 CD40 (0.40) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL14004569 0.83 CD40 (0.41) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL14004632 0.83 PRMT1 (0.37) MAPK8MAPK9ALDH1A1KDM4EENPP1
SCHEMBL14004571 0.80 CD40 (0.41) ALDH1A1KDM4EENPP1MAPTMEN1
SCHEMBL10034956 0.79 ALDH1A1 (0.40) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL10035085 0.79 ALDH1A1 (0.40) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL10034997 0.79 ALDH1A1 (0.40) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL10030510 0.78 CCNA2 (0.37) MAPK8MAPK9CCNA2CDK2CCNA1
SCHEMBL14004572 0.78 CD40 (0.40) ALDH1A1KDM4EENPP1MAPTMEN1

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
EP-2418256-B1 Acid dyes CLARIANT FINANCE BV LTD (VG) 2013-03-27 — — EP disclosed
EP-2418256-A1 Acid dyes Clariant International Ltd. (CH) 2012-02-15 — — EP disclosed
WO-2012013301-A1 ACID DYES CLARIANT INTERNATIONAL LTD (CH) 2012-02-02 — — WO disclosed
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