SCHEMBL6605972

SCHEMBL6605972

CC1([N+](=O)[O-])C=C([N+](=O)[O-])C=CC1S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL3382768 0.76
SCHEMBL5497761 0.74
SCHEMBL11881378 0.73
SCHEMBL10913340 0.70
SCHEMBL11466395 0.68
SCHEMBL7497878 0.67 PKM (0.40) CA1CA2CA9CA12CA7
Phenol SCHEMBL9467194 0.66 ALDH1A1 (0.34)
SCHEMBL1962852 0.65
SCHEMBL58520 0.62 PRMT5 (0.32)
SCHEMBL22470998 0.62 POLB (0.31)

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-1385506-A4 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2004-07-07 EP disclosed
EP-1385506-A2 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2002067869-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed