SCHEMBL5246499

SCHEMBL5246499

O=C(O)c1cccc(C#Cc2cccc(-c3c4cccc(C(F)(F)F)c4nn3C(F)c3cccc(F)c3F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.35
NR1H3 Q13133 8/20 0.35
RORC P51449 8/20 0.35
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33

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
SCHEMBL1407295 0.76 NR1H2 (0.48) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1407217 0.71 NR1H2 (0.51) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL5348609 0.70 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1
SCHEMBL5283390 0.69 SOS1 (0.43) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1407884 0.68 ROCK2 (0.44) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407433 0.68 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407309 0.67 NR1H2 (0.44) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407415 0.67 NR1H2 (0.44) NR1H2NR1H3NR1I2NR3C1
SCHEMBL3863906 0.66 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1414301 0.65 NR1H2 (0.43) NR1H2NR1H3RORCNR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed