SCHEMBL14650640

SCHEMBL14650640

COCCN(CCOC)CCS(=O)(=O)c1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(C)C6=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ TERT O14746 2/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 4/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL14650662 0.86 STAT3 (0.41) CA1CA2CA9CA12TERT
SCHEMBL14650553 0.81 CA12 (0.32) CA1CA2CA9CA12
SCHEMBL14650699 0.80 CA12 (0.32) CA1CA2CA9CA12NPSR1
SCHEMBL14650709 0.76 CA12 (0.31) CA1CA2CA9CA12
SCHEMBL14650571 0.75 CA12 (0.31) CA1CA2CA9CA12
SCHEMBL14650560 0.74 MCHR1 (0.31) —
SCHEMBL14650645 0.72 ALDH1A1 (0.40) CA1CA2CA9CA12TERT
SCHEMBL5578422 0.71 ESR1 (0.54) CA1CA2CA9CA12KDM4E
SCHEMBL26220444 0.70 CA1 (0.63) CA1CA2CA9CA12KDM4E
SCHEMBL14650657 0.70 KDM4E (0.43) CA1CA2CA9CA12TERT

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 4 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-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
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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