SCHEMBL3624895

SCHEMBL3624895

CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
PDK2 Q15119 1/20 0.44
TP53 P04637 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KIF11 P52732 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL4691963 0.90 CA12 (0.50) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL7324832 0.89 MAPT (0.50) RXRARXRBMAPTKDM4EMEN1
SCHEMBL3618945 0.88 PPARD (0.47) RXRARXRBMAPTKDM4EMEN1
SCHEMBL13140804 0.86 TSHR (0.57) MAPTKDM4EMEN1KMT2ACA12
SCHEMBL2270134 0.85 CFTR (0.57) RXRARXRBMAPTKDM4EKIF11
SCHEMBL3997038 0.84 POLB (0.49) RXRARXRBMAPTMEN1KMT2A
SCHEMBL2294507 0.83 MAPT (0.57) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3658005 0.82 CA12 (0.61) MAPTMEN1KMT2ATP53CA12
SCHEMBL12991540 0.82 TSHR (0.58) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL6710564 0.81 MAPK1 (0.52) MAPTKDM4ETP53CA12CA1

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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed