SCHEMBL13397206

SCHEMBL13397206

C=CCN(CC=C)c1cccc(NS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.50
▸ CA1 P00915 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37

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
SCHEMBL3507875 0.81 CA2 (0.54) CA2CA1NR3C1KDM1ACYSLTR2
SCHEMBL7528456 0.81 CA2 (0.56) CA2CA1NR3C1KDM1ACYSLTR2
Trifluoromethanesulfonic Acid SCHEMBL6668114 0.77 CA2 (0.49) CA2CA1NR3C1KDM1ACYSLTR2
SCHEMBL15836447 0.75 CA2 (0.56) CA2CA1KDM1ACYSLTR2CYSLTR1
SCHEMBL10694157 0.73 CHKA (0.41) PTPN1CYP3A4
SCHEMBL20257192 0.72 CA2 (0.50) CA2CA1NR3C1KDM1ACYSLTR2
SCHEMBL7146940 0.71 POLB (0.49) —
SCHEMBL17022425 0.71 ALDH1A1 (0.42) —
SCHEMBL7118308 0.69 CA2 (0.61) CA2CA1KDM1ACYSLTR2CYSLTR1
SCHEMBL4649831 0.69 CA2 (0.66) CA2CA1KDM1APTPN1PTPN11

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-20100098898-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2010-04-22 — — US disclosed
US-20100098898-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2010-04-22 — — US disclosed
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