SCHEMBL4557477

SCHEMBL4557477

COc1cc([Na])ccc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ALPL P05186 9/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
TP53 P04637 1/20 0.50
FABP4 P15090 2/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL7364604 0.81 CA12 (0.59) CYP19A1CA12CA9MEN1KMT2A
SCHEMBL1940847 0.77 PKM (0.55) CYP19A1CA12CA9ALPLMEN1
SCHEMBL30753799 0.77 PKM (0.55) CYP19A1CA12CA9ALPLMEN1
SCHEMBL14851521 0.76 FABP4 (0.78) CA12CA9LMNAFABP4HTT
SCHEMBL13788806 0.75 CA12 (0.54) CYP19A1CA12CA9ALPLMEN1
SCHEMBL18546034 0.74 CYP19A1 (0.73) CYP19A1ALPLMEN1KMT2ALMNA
SCHEMBL23847019 0.73 MEN1 (0.61) CA12CA9ALPLMEN1KMT2A
SCHEMBL3761698 0.73 ALPL (0.72) CA12CA9ALPLMEN1KMT2A
SCHEMBL7578214 0.73 USP2 (0.73) ALPLMEN1KMT2ALMNAALOX12
SCHEMBL12347508 0.73 CA12 (0.51) CYP19A1CA12CA9ALPLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940397-A2 METHODS FOR TREATING HYPERTENSION Tap Pharmaceutical Products, Inc. (US) 2008-07-09 EP claimed
WO-2007019153-A2 METHODS FOR TREATING HYPERTENSION TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2007-02-15 WO claimed
EP-2120956-A1 METHODS FOR PREVENTING OR REDUCING THE NUMBER OF GOUT FLARES USING XANTHINE OXIDOREDUCTASE INHIBITORS AND ANTI-INFLAMMATORY AGENTS Takeda Pharmaceuticals North America (US) 2009-11-25 EP disclosed
WO-2008089296-A1 METHODS FOR PREVENTING OR REDUCING THE NUMBER OF GOUT FLARES USING XANTHINE OXIDOREDUCTASE INHIBITORS AND ANTI-INFLAMMATORY AGENTS TAKEDA PHARMACEUTICALS NORTH AMERICA (US) 2008-07-24 WO disclosed
EP-1940397-A2 METHODS FOR TREATING HYPERTENSION Tap Pharmaceutical Products, Inc. (US) 2008-07-09 EP disclosed
WO-2007019153-A2 METHODS FOR TREATING HYPERTENSION TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2007-02-15 WO disclosed