SCHEMBL5300032

SCHEMBL5300032

Fc1cccc(C(F)n2nc3c(C(F)(F)F)cccc3c2-c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.38
NR1H3 Q13133 9/20 0.38
VCP P55072 2/20 0.38
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
ITGA4 P13612 1/20 0.34
SOS1 Q07889 1/20 0.34
MCHR1 Q99705 1/20 0.34
DNMT3A Q9Y6K1 2/20 0.33
SLC2A1 P11166 1/20 0.33
SCD O00767 1/20 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
SCHEMBL5283390 0.81 SOS1 (0.43) NR1H2NR1H3NR1I2NR3C1SOS1
SCHEMBL1407173 0.79 NR1H2 (0.49) NR1H2NR1H3VCPNR1I2NR3C1
SCHEMBL1408084 0.73 NR1H2 (0.49) NR1H2NR1H3VCPNR1I2NR3C1
SCHEMBL1407490 0.68 NR1H2 (0.47) NR1H2NR1H3VCPNR1I2NR3C1
SCHEMBL5348609 0.68 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1
SCHEMBL27730583 0.67 NR1H2 (0.47) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1408305 0.66 NR1H2 (0.50) NR1H2NR1H3NR1I2NR3C1DNMT3A
SCHEMBL5244461 0.66 ITGB2 (0.40) NR1H2NR1H3NR1I2NR3C1SOS1
SCHEMBL3867717 0.66 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1
SCHEMBL27730657 0.66 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1

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 claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed