SCHEMBL8728359

SCHEMBL8728359

NC(CCc1ccccn1)(Cc1ccccc1)C(=O)OCCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 4/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.40
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6853706 0.84 CYP1A2 (0.45) NPC1RAB9AKMT2ACYP1A2HPGD
SCHEMBL6856046 0.77 CYP1A2 (0.54) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL27640134 0.74 CA12 (0.61) CA12CA1CA2CA9NPC1
SCHEMBL1281463 0.72 CA12 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL9366627 0.72 CA12 (0.49) CA12CA1CA2CA9NPC1
Hydrochloric Acid SCHEMBL7603533 0.71 CA12 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL28387518 0.70 CYP1A2 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL12248256 0.70 CA12 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL4954719 0.70 CYP1A2 (0.51) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL28340854 0.70 CA12 (0.59) CA12CA1CA2CA9NPC1

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-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed