SCHEMBL338481

SCHEMBL338481

Bc1c(Cc2ccc(F)cc2)cnc(C(=O)OC(C)C)c1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 1/20 0.34
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
SCHEMBL347028 0.87 NPSR1 (0.46) NPSR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL12306126 0.79 NPSR1 (0.47) NPSR1CNR2LMNAMAPTCYP4F2
SCHEMBL342076 0.79 NPSR1 (0.41) NPSR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL344043 0.79 NPSR1 (0.49) NPSR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1593857 0.75 NPSR1 (0.48) NPSR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL342457 0.75 MAPT (0.44) NPSR1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL342072 0.74 NPSR1 (0.37) NPSR1CNR2
SCHEMBL342928 0.73 POLB (0.38) NPSR1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL350255 0.73 NPSR1 (0.42) NPSR1CNR2LMNAMAPTKMT2A
SCHEMBL351535 0.73 PARP1 (0.43) NPSR1LMNAMAPT

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