SCHEMBL5884627

SCHEMBL5884627

C=CCON=Cc1cccc(OCCCC2CCCN(c3ccc(C)nn3)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NR1I2 O75469 1/20 0.31
GAA P10253 1/20 0.31
BTK Q06187 1/20 0.31
POLB P06746 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GLS O94925 5/20 0.30
MAPK1 P28482 1/20 0.30
MAP4K4 O95819 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
SCHEMBL5883881 0.93 L3MBTL1 (0.34) L3MBTL1ALDH1A1NR1I2POLBNPC1
SCHEMBL5884901 0.91 GLS (0.33) POLBNPC1RAB9ASMN1; SMN2GLS
SCHEMBL5884860 0.90 NR1I2 (0.36) L3MBTL1NR1I2BTKMAP4K4
SCHEMBL5884308 0.89 ALDH1A1 (0.37) L3MBTL1ALDH1A1NR1I2POLBNPC1
SCHEMBL5884909 0.88 GAA (0.31) GAA
SCHEMBL5884713 0.87 TEAD1 (0.36) NR1I2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5883890 0.83 DGAT1 (0.35) POLBNPC1RAB9ASMN1; SMN2GLS
SCHEMBL5884872 0.82 SMN1; SMN2 (0.34) POLBNPC1RAB9ASMN1; SMN2GLS
SCHEMBL5884946 0.82 MEN1 (0.33) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5884841 0.81 CHRNB2 (0.34) BTKNPC1RAB9ASMN1; SMN2MAP4K4

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