SCHEMBL5884713

SCHEMBL5884713

C=CCON=Cc1cccc(OCCC2CCN(c3ccc(C)nn3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLS O94925 1/20 0.33
MAPK1 P28482 1/20 0.33
DGAT1 O75907 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC2A1 P11166 1/20 0.31
CTSS P25774 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
FURIN P09958 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1I2 O75469 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
SCHEMBL5884901 0.96 GLS (0.33) TEAD1TEAD3NPC1RAB9APOLB
SCHEMBL5884592 0.92 NPC1 (0.35) TEAD1TEAD3NPC1RAB9APOLB
SCHEMBL5884831 0.89 TEAD1 (0.36) TEAD1TEAD3NPC1RAB9AGPR119
SCHEMBL5884326 0.88 NPC1 (0.38) TEAD1TEAD3NPC1RAB9APOLB
SCHEMBL5883890 0.88 DGAT1 (0.35) NPC1RAB9APOLBSMN1; SMN2GLS
SCHEMBL5884627 0.87 L3MBTL1 (0.33) NPC1RAB9APOLBSMN1; SMN2GLS
SCHEMBL5884089 0.87 SLC6A2 (0.40) NPC1RAB9APOLBSMN1; SMN2MAPK1
SCHEMBL5884872 0.86 SMN1; SMN2 (0.34) TEAD1TEAD3NPC1RAB9APOLB
SCHEMBL5884228 0.86 HPGD (0.37) SLC2A1CTSS
SCHEMBL5884514 0.85 NR1I2 (0.35) TEAD1TEAD3GPR119MEN1KMT2A

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed