SCHEMBL4448983

SCHEMBL4448983

Cc1cc(-n2ncc3c(O)cccc32)ccc1O.Oc1c(F)cc(-n2ncc3c(O)cccc32)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP17A1 P05093 2/20 0.41
NR3C1 P04150 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2008736 0.90 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL2006080 0.89 CYP11B2 (0.46) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL2008964 0.85 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL4437505 0.83 SMN1; SMN2 (0.43) CYP11B1CYP11B2CYP1A2CYP17A1SMN1; SMN2
SCHEMBL4113695 0.75 CYP17A1 (0.54) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL19051717 0.75 CYP17A1 (0.45) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL2007798 0.74 CCR1 (0.41) CYP11B1CYP11B2CYP1A2CYP17A1SMN1; SMN2
SCHEMBL14085859 0.73 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL2003406 0.72 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1
SCHEMBL2006806 0.72 NR3C1 (0.42) CYP11B1CYP11B2CYP1A2CYP17A1NR3C1

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-2118068-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS Glaxo Group Limited (GB) 2009-11-18 EP claimed
WO-2008107455-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed