SCHEMBL2434491

SCHEMBL2434491

CC(CO)Cc1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.42
BMP1 P13497 1/20 0.38
PDPK1 O15530 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DGAT1 O75907 1/20 0.36
MAPT P10636 1/20 0.36
CXCR2 P25025 1/20 0.35
CX3CR1 P49238 1/20 0.35
AKR1B1 P15121 2/20 0.35
P2RX7 Q99572 2/20 0.35
ACACB O00763 1/20 0.35
KDM1A O60341 1/20 0.35
FPR2 P25090 1/20 0.35
APLNR P35414 1/20 0.33
SLC6A4 P31645 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
SCHEMBL15526439 0.86 DPP4 (0.43) PYCR1KDM4EDGAT1ACACBFPR2
SCHEMBL13003912 0.84 PYCR1 (0.43) PYCR1BMP1PDPK1KDM4EMAPT
SCHEMBL3904974 0.82 IDO1 (0.43) KDM4ESLC6A4
SCHEMBL31173173 0.82 PYCR1 (0.44) PYCR1BMP1PDPK1KDM4EDGAT1
SCHEMBL2879127 0.82 PYCR1 (0.44) PYCR1BMP1PDPK1KDM4EDGAT1
SCHEMBL8252272 0.82 PYCR1 (0.46) PYCR1BMP1PDPK1KDM4EDGAT1
SCHEMBL5239737 0.80 PYCR1 (0.45) PYCR1BMP1PDPK1KDM4EMAPT
SCHEMBL27578151 0.79 KDM1A (0.41) PYCR1PDPK1MAPTKDM1ASLC6A4
SCHEMBL14478258 0.79 PYCR1 (0.44) PYCR1
SCHEMBL4004992 0.77 GABRA1 (0.44) KDM4EMAPT

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
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed