SCHEMBL4041305

SCHEMBL4041305

COc1cccc(OC)c1-c1ccc(C(=O)O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
TPMT P51580 2/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 3/20 0.47
MAPK1 P28482 1/20 0.47
TTR P02766 3/20 0.47
PKM P14618 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
SCHEMBL545133 0.87 NOTUM (0.49) CA12CA1CA2CA7CA9
SCHEMBL2743943 0.80 LMNA (0.61) LMNACA12CA1CA2CA7
SCHEMBL36091 0.79 ALDH1A1 (0.76) LMNACA12CA1CA2CA7
SCHEMBL31652866 0.79 ALDH1A1 (0.76) LMNACA12CA1CA2CA7
SCHEMBL644265 0.79 CA12 (0.69) LMNACA12CA1CA2CA7
Benzoic Acid SCHEMBL11509726 0.76 CYP1A2 (0.77) LMNACA12CA1CA2CA7
SCHEMBL11507721 0.76 TTR (0.54) CA12CA1CA2CA7CA9
SCHEMBL26187188 0.75 TTR (0.76) LMNAHPGDHTTALDH1A1RAB9A
SCHEMBL2773191 0.75 CA1 (0.74) LMNACA12CA1CA2CA7
SCHEMBL29788322 0.74 CA12 (0.62) LMNACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed