SCHEMBL6824965

SCHEMBL6824965

COc1cc(NC(=O)Nc2cccc3ccc(OS(N)(=O)=O)cc23)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.64
CA1 P00915 14/20 0.64
CA2 P00918 14/20 0.64
CA9 Q16790 14/20 0.64
TRPV1 Q8NER1 2/20 0.58
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
GPR139 Q6DWJ6 1/20 0.48
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6827222 0.90 TRPV1 (0.59) CA12CA1CA2CA9TRPV1
SCHEMBL6824278 0.87 TRPV1 (0.59) CA12CA1CA2CA9TRPV1
SCHEMBL6821502 0.85 TRPV1 (0.54) CA12CA1CA2CA9TRPV1
SCHEMBL6822253 0.82 KDM4E (0.71) CA12CA1CA2CA9TRPV1
SCHEMBL6825453 0.82 TRPV1 (0.84) TRPV1KDM4EMEN1KMT2A
SCHEMBL4196085 0.73 TRPV1 (0.65) TRPV1KDM4EALDH1A1FFAR4GPR139
SCHEMBL6825142 0.72 KDM4E (0.72) TRPV1KDM4EMEN1ALDH1A1HPGD
SCHEMBL30594489 0.72 MTNR1A (0.58) TRPV1KDM4EMEN1ALDH1A1HPGD
SCHEMBL745297 0.72 MTNR1A (0.58) TRPV1KDM4EMEN1ALDH1A1HPGD
SCHEMBL8099669 0.72 KMT2A (0.58) TRPV1KDM4EMEN1ALDH1A1HPGD

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
WO-2004089881-A1 NEW SULFONYL DERIVATIVES OF AMINONAPHTOLS ASTRAZENECA AB (SE) 2004-10-21 WO claimed
WO-2004089881-A1 NEW SULFONYL DERIVATIVES OF AMINONAPHTOLS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed