SCHEMBL14675447

SCHEMBL14675447

Oc1ccc(-c2cc(C(F)(F)F)ccc2Br)cc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
KIF11 P52732 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TMPRSS4 Q9NRS4 2/20 0.35
NQO2 P16083 1/20 0.34
BIRC5 O15392 1/20 0.34
HPN P05981 1/20 0.33
PIK3CA P42336 3/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PIK3R1 P27986 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL365939 0.78 MEN1 (0.48) KIF11MEN1KMT2ATMPRSS4NQO2
Iodide SCHEMBL5764079 0.75 MEN1 (0.46) KIF11MEN1KMT2ATMPRSS4NQO2
SCHEMBL323510 0.74 KIF11 (0.48) KIF11ALOX15ALOX12PTPN1
SCHEMBL18587158 0.71 RXRA (0.57) MEN1KMT2ATAS2R14MAPK1MAP2K4
SCHEMBL18608563 0.71 FEN1 (0.44) ALOX5APFEN1CYP2C19
SCHEMBL1290586 0.70 ALOX15 (0.55) KIF11MEN1KMT2ATMPRSS4NQO2
SCHEMBL1928764 0.70 MEN1 (0.44) ALOX5APFEN1KIF11MEN1KMT2A
SCHEMBL30141994 0.70 TAS2R14 (0.38) KIF11TAS2R14MAPK1KDM4EALDH1A1
SCHEMBL3747226 0.70 TAS2R14 (0.38) KIF11TAS2R14MAPK1KDM4EALDH1A1
SCHEMBL15009854 0.69 KIF11 (0.57) KIF11PIK3CASLC22A12PIK3R1

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-2739609-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2014-06-11 EP disclosed
WO-2013017654-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2013-02-07 WO disclosed