SCHEMBL348276

SCHEMBL348276

C=CCNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
FLT3 P36888 2/20 0.39
MAPT P10636 2/20 0.34
CNR2 P34972 1/20 0.34
FPR1 P21462 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PDE4B Q07343 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
SCHEMBL12359024 0.90 NPSR1 (0.41) NPSR1FLT3MAPTCNR2FPR1
SCHEMBL338765 0.84 NPSR1 (0.41) NPSR1FLT3MAPTCNR2FPR1
SCHEMBL12306126 0.78 NPSR1 (0.47) NPSR1FLT3MAPTCNR2FPR1
SCHEMBL342076 0.77 NPSR1 (0.41) NPSR1FLT3MAPTCNR2ALDH1A1
SCHEMBL12306124 0.77 NPSR1 (0.41) NPSR1FLT3MAPTCNR2FPR1
SCHEMBL345163 0.75 NPSR1 (0.39) NPSR1FLT3MAPTCNR2LMNA
SCHEMBL12359164 0.75 NPSR1 (0.39) NPSR1FLT3MAPTCNR2FPR1
SCHEMBL338481 0.73 NPSR1 (0.47) NPSR1MAPTCNR2LMNAKMT2A
SCHEMBL347028 0.72 NPSR1 (0.46) NPSR1MAPTCNR2FPR1ALDH1A1
SCHEMBL12359023 0.72 NPSR1 (0.35) NPSR1FLT3MAPTALDH1A1LMNA

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