SCHEMBL338765

SCHEMBL338765

C=C(CO)CNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CNR2 P34972 1/20 0.35
FLT3 P36888 1/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR1 P21462 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
SMO Q99835 1/20 0.31
MAPT P10636 3/20 0.31

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
SCHEMBL12359164 0.91 NPSR1 (0.39) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL348276 0.84 NPSR1 (0.42) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL342076 0.82 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL345163 0.81 NPSR1 (0.39) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12306124 0.81 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL13537198 0.80 PDE4B (0.37) NPSR1LMNAKMT2AALDH1A1KDM4E
SCHEMBL12306126 0.76 NPSR1 (0.47) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12359024 0.75 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL338481 0.72 NPSR1 (0.47) NPSR1CNR2LMNAKMT2ASMN1; SMN2
SCHEMBL347028 0.71 NPSR1 (0.46) NPSR1CNR2LMNAKMT2AALDH1A1

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