SCHEMBL342076

SCHEMBL342076

Bc1c(Cc2ccc(F)cc2)cnc(C(=O)OC(C)C)c1NCC(=C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.33
FLT3 P36888 1/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACACB O00763 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
SCHEMBL12306124 0.89 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL345163 0.88 NPSR1 (0.39) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL338765 0.82 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12359164 0.80 NPSR1 (0.39) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL338481 0.79 NPSR1 (0.47) NPSR1CNR2LMNAKMT2AMAPT
SCHEMBL12373146 0.79 NPSR1 (0.39) NPSR1LMNAKMT2AALDH1A1KDM4E
SCHEMBL342928 0.78 POLB (0.38) NPSR1LMNAKMT2AMAPTALDH1A1
SCHEMBL348276 0.77 NPSR1 (0.42) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL342072 0.77 NPSR1 (0.37) NPSR1CNR2
SCHEMBL12359024 0.76 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A

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