SCHEMBL10034956

SCHEMBL10034956

Cc1c(C#N)c(NCCO)nc(NCCc2ccc(S(=O)(=O)O)cc2)c1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N/c3c(NCCc4ccc(S(=O)(=O)O)cc4)nc(NCCO)c(C#N)c3C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ MAPK8 P45983 5/20 0.40
▸ MAPK9 P45984 3/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK10 P53779 2/20 0.39
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ EGFR P00533 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 3/20 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
SCHEMBL10034997 1.00 ALDH1A1 (0.40) ALDH1A1LMNATP53CA1CA2
SCHEMBL10035085 1.00 ALDH1A1 (0.40) ALDH1A1LMNATP53CA1CA2
SCHEMBL14004288 0.80 CD40 (0.40) ALDH1A1MAPK8MAPK9KMT2AMAPT
SCHEMBL14004289 0.80 CD40 (0.40) ALDH1A1MAPK8MAPK9KMT2AMAPT
SCHEMBL10034884 0.79 MAPK8 (0.40) ALDH1A1LMNATP53MAPK8MAPK9
SCHEMBL12704485 0.78 KMT2A (0.40) ALDH1A1LMNATP53CA1CA2
SCHEMBL14004569 0.77 CD40 (0.41) ALDH1A1MAPK8MAPK9KMT2AMAPT
SCHEMBL12704484 0.77 KMT2A (0.40) ALDH1A1LMNATP53CA1CA2
SCHEMBL14004415 0.77 CD40 (0.36) ALDH1A1LMNATP53CA1CA2
SCHEMBL14004418 0.77 CD40 (0.36) ALDH1A1LMNATP53CA1CA2

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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