SCHEMBL7019884

SCHEMBL7019884

COCc1cc(COS(C)(=O)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 14/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.34

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
SCHEMBL18407634 0.88 TSHR (0.45) POLBHTTCYP19A1TSHRALDH1A1
SCHEMBL7013539 0.86 TSHR (0.52) POLBHTTCYP19A1TSHR
SCHEMBL7465368 0.84 CYP19A1 (0.41) POLBHTTCYP19A1TSHRALDH1A1
SCHEMBL11273785 0.82 CYP19A1 (0.50) POLBHTTCYP19A1TSHRALDH1A1
SCHEMBL787701 0.81 GAA (0.38) POLBTSHRALDH1A1HPGDIDO1
SCHEMBL18407594 0.81 CYP19A1 (0.32) POLBHTTCYP19A1ALDH1A1HPGD
SCHEMBL5005099 0.80 POLB (0.52) POLBHTTALDH1A1HPGD
SCHEMBL18538952 0.80 HTT (0.47) POLBHTTCYP19A1TSHRIDO1
SCHEMBL20511401 0.79 TSHR (0.54) POLBHTTCYP19A1TSHRALDH1A1
SCHEMBL1827937 0.78 IDO1 (0.58) CYP19A1TSHRALDH1A1IDO1

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-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed