SCHEMBL345163

SCHEMBL345163

C=C(C)CNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1BC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.32
FLT3 P36888 1/20 0.32
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL342076 0.88 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12306124 0.87 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL338765 0.81 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12359164 0.80 NPSR1 (0.39) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL348276 0.75 NPSR1 (0.42) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12359024 0.74 NPSR1 (0.41) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL12306125 0.72 NPSR1 (0.41) NPSR1CNR2FLT3LMNACYP4F2
SCHEMBL12306126 0.71 NPSR1 (0.47) NPSR1CNR2FLT3LMNAKMT2A
SCHEMBL338481 0.71 NPSR1 (0.47) NPSR1CNR2LMNAKMT2ACYP4F2
SCHEMBL347028 0.70 NPSR1 (0.46) NPSR1CNR2LMNAKMT2ACYP4F2

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