SCHEMBL27955217

SCHEMBL27955217

O=C(Cc1ccccc1)c1ccc(F)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SRD5A2 P31213 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLAU P00749 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.45
GRM1 Q13255 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 3/20 0.43
STS P08842 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
PGR P06401 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL4969713 0.87 MAPT (0.51) MAPTL3MBTL1SRD5A2RAB9ASMN1; SMN2
SCHEMBL1515798 0.85 MAPT (0.61) MAPTL3MBTL1SRD5A2RAB9ASMN1; SMN2
SCHEMBL383767 0.82 MEN1 (0.57) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL14533992 0.82 MAPT (0.57) MAPTL3MBTL1SRD5A2RAB9ASMN1; SMN2
SCHEMBL1515818 0.81 L3MBTL1 (0.65) MAPTL3MBTL1SRD5A2RAB9ASMN1; SMN2
SCHEMBL31149832 0.78 PTPN1 (0.57) RAB9ANPC1CES2CES1
SCHEMBL28037289 0.78 CES2 (0.41) RAB9ANPC1IDO1TDO2PGR
SCHEMBL246840 0.78 ACHE (0.42) RAB9ANPC1ALDH1A1IDO1TDO2
SCHEMBL3162903 0.78 PTPN1 (0.57) RAB9ANPC1CES2CES1
SCHEMBL15100944 0.77 MAPT (0.60) MAPTL3MBTL1SRD5A2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724175-A Synthetic method of atorvastatin intermediate alpha-bromine-4-fluorophenyl benzyl ketone ANQING JINQUAN PHARM CO LTD 2014-04-16 CN claimed