SCHEMBL473924

SCHEMBL473924

Cn1c(=O)oc2cc(CC(c3ccc(Br)cc3Cl)C(O)C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL473987 0.93 CYP11B2 (0.35) CYP11B2MAPTNPC1KMT2AALDH1A1
SCHEMBL474137 0.82 MIF (0.36) CYP11B2MAPTKMT2AALDH1A1
SCHEMBL474062 0.81 CYP11B2 (0.35) CYP11B2
SCHEMBL473926 0.80 KMO (0.39) CYP11B2LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL473936 0.77 CYP11B2 (0.45) CYP11B2
SCHEMBL473947 0.76 MIF (0.36) CYP11B2LMNAMAPTKMT2AALDH1A1
SCHEMBL474050 0.76 CYP11B2 (0.40) CYP11B2
SCHEMBL474017 0.75 KCNJ1 (0.33) CYP11B2LMNAMAPTKDM4ENPC1
SCHEMBL474034 0.74 KMO (0.39) CYP11B2LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL12164116 0.74 CYP11B2 (0.38) CYP11B2LMNAMAPTKDM4ENPC1

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-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed