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SCHEMBL14650726

SCHEMBL14650726

C=CS(=O)(=O)c1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(C(C)COCC(CC)(COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(c2ccc(S(=O)(=O)C=C)cc2)C7=O)COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(c2ccc(S(=O)(=O)C=C)cc2)C7=O)C6=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL14650713 0.92 ALDH1A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL14650718 0.85 CA12 (0.35) CA12CA1CA2CA9NPSR1
SCHEMBL14650677 0.85 KMT2A (0.38) KDM4EALDH1A1CYP1A2POLBHPGD
SCHEMBL14650721 0.84 KMT2A (0.34) CA12CA1CA2CA9KDM4E
SCHEMBL14650706 0.83 MCHR1 (0.37) KDM4EALDH1A1CYP1A2POLBHPGD
SCHEMBL14650719 0.81 CA12 (0.32) CA12CA1CA2CA9NPSR1
SCHEMBL14650699 0.80 CA12 (0.32) CA12CA1CA2CA9NPSR1
SCHEMBL14650693 0.80 CA12 (0.32) CA12CA1CA2CA9NPSR1
SCHEMBL14650564 0.80 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL14650710 0.80 ALDH1A1 (0.33) CA12CA1CA2CA9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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