SCHEMBL28118972

SCHEMBL28118972

O=C(c1ccc(Br)cc1)C(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSP90AA1 P07900 1/20 0.46
NTSR1 P30989 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
S1PR3 Q99500 1/20 0.45
AKR1C3 P42330 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HSD11B1 P28845 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL4483081 0.86 TDP1 (0.61) LMNAALDH1A1TDP1L3MBTL1CES2
SCHEMBL28756606 0.83 NPC1 (0.51) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL10560308 0.83 LMNA (0.57) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL28398882 0.81 CES2 (0.52) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL29291317 0.81 LMNA (0.46) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL6201840 0.79 LMNA (0.74) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL5525568 0.79 CES2 (0.55) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL2122042 0.78 SRC (0.57) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL11749522 0.78 LMNA (0.50) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL5873117 0.78 LMNA (0.50) LMNAALDH1A1TDP1L3MBTL1MEN1

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
CN-106348990-B A method of synthesis 1,2,2- triaryl ethyl ketone and its derivative 兰州大学 2019-10-18 CN claimed
CN-106348990-B A method of synthesis 1,2,2- triaryl ethyl ketone and its derivative 兰州大学 2019-10-18 CN disclosed
CN-106348990-A Method for synthesizing 1,2,2-triaryl ethyl ketone and derivatives thereof 兰州大学 2017-01-25 CN disclosed