SCHEMBL347028

SCHEMBL347028

CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FPR1 P21462 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 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
SCHEMBL12306126 0.87 NPSR1 (0.47) NPSR1LMNAMAPTCNR2KDM4E
SCHEMBL338481 0.87 NPSR1 (0.47) NPSR1LMNAMAPTCNR2SMN1; SMN2
SCHEMBL12306125 0.80 NPSR1 (0.41) NPSR1LMNAMAPTCNR2FPR1
SCHEMBL341063 0.80 NPSR1 (0.46) NPSR1LMNAMAPTCNR2SMN1; SMN2
SCHEMBL12306124 0.79 NPSR1 (0.41) NPSR1LMNAMAPTCNR2SMN1; SMN2
SCHEMBL12359024 0.79 NPSR1 (0.41) NPSR1LMNAMAPTCNR2SMN1; SMN2
SCHEMBL345692 0.79 NPSR1 (0.40) NPSR1LMNAMAPTCNR2FPR1
SCHEMBL12359164 0.78 NPSR1 (0.39) NPSR1LMNAMAPTCNR2FPR1
SCHEMBL344043 0.78 NPSR1 (0.49) NPSR1LMNAMAPTCNR2SMN1; SMN2
SCHEMBL12318935 0.75 NPSR1 (0.37) NPSR1LMNAMAPTCNR2

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
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed