SCHEMBL6157779

SCHEMBL6157779

O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
CYP19A1 P11511 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
AR P10275 1/20 0.57
PKM P14618 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL8762732 0.83 KMT2A (0.66) RAB9ACYP19A1MEN1KMT2ACA1
SCHEMBL7471734 0.83 PKM (0.72) RAB9APKMCA1CA2MMP1
SCHEMBL6161452 0.81 PRMT1 (0.59) CYP19A1PKMCA1CA2MMP1
SCHEMBL23014272 0.80 KMT2A (0.64) CYP19A1MEN1KMT2ACA1CA2
SCHEMBL30075076 0.79 CYP19A1 (0.86) CYP19A1MEN1KMT2AARCA1
SCHEMBL4349159 0.79 CYP19A1 (0.86) CYP19A1MEN1KMT2AARCA1
SCHEMBL6160833 0.79 RAB9A (0.64) RAB9AMEN1KMT2A
SCHEMBL4349161 0.78 AR (0.64) CYP19A1MEN1KMT2AARCA1
SCHEMBL6361411 0.78 KMT2A (0.69) CYP19A1MEN1KMT2ACA1CA2
SCHEMBL29096884 0.78 CYP19A1 (0.56) RAB9ACYP19A1MEN1KMT2AAR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed