SCHEMBL5690739

SCHEMBL5690739

O=C(c1ccc(Br)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.42
AKR1C3 P42330 1/20 0.41
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL5682164 0.85 CYP11B1 (0.43) SIRT2KMT2AENPP2CYP11B1CYP11B2
SCHEMBL2916350 0.83 PRKAA2 (0.37) LMNAKMT2AMEN1L3MBTL1MAPT
SCHEMBL670904 0.79 CYP11B1 (0.43) SIRT2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL7978828 0.79 LCK (0.38) SIRT2KMT2AENPP2CYP11B1CYP11B2
SCHEMBL4030987 0.79 MEN1 (0.51) SIRT2KMT2AMEN1MAPTENPP2
SCHEMBL7803942 0.77 SIRT2 (0.36) SIRT2ENPP2CYP11B1CYP11B2
SCHEMBL28422181 0.77 ADA (0.47) SIRT2KMT2AMAPTENPP2CYP11B1
SCHEMBL693097 0.77 CYP11B1 (0.41) SIRT2LMNAKMT2AMEN1HTT
SCHEMBL1040045 0.77 CYP11B1 (0.41) SIRT2KMT2AMAPTKDM4EALDH1A1
SCHEMBL313125 0.76 ACSS2 (0.43) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed