SCHEMBL5156355

SCHEMBL5156355

O=C(O)C(CCC/C=C/c1cccnc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.61
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
JUN P05412 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5156363 1.00 TBXAS1 (0.61) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732341 0.85 TBXAS1 (0.68) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732343 0.85 TBXAS1 (0.68) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8528974 0.81 TBXAS1 (0.46) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30479399 0.78 TBXAS1 (0.53) TBXAS1
SCHEMBL10444608 0.77 TBXAS1 (0.91) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5354522 0.76 TBXAS1 (1.00) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5354515 0.76 TBXAS1 (1.00) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10618801 0.75 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10618822 0.75 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 EP claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 EP claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 WO claimed