SCHEMBL12949685

SCHEMBL12949685

c1nnc(SC2CCCCC2)n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.35
MAPK1 P28482 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CBLB Q13191 1/20 0.31
PI4KA P42356 2/20 0.30
PI4K2B Q8TCG2 2/20 0.30
PI4K2A Q9BTU6 2/20 0.30
PI4KB Q9UBF8 2/20 0.30
ADORA2A P29274 1/20 0.30
TXN P10599 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
SCHEMBL6969752 0.77 PI4KA (0.34) POLBALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL12949444 0.77 POLB (0.49) VCPMAPK1MAOAMAOBPOLB
SCHEMBL11514025 0.67 ALDH1A1 (0.49) VCPMAPK1POLBALDH1A1MAPT
SCHEMBL11510738 0.67 MAOA (0.36) VCPMAPK1MAOAMAOBPOLB
SCHEMBL11511317 0.67 VCP (0.45) VCPMAPK1MAOAMAOBPOLB
SCHEMBL6970733 0.67 PI4KA (0.37) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22474028 0.67 PI4KA (0.37) ALDH1A1MAPTPI4KAPI4K2BPI4K2A
SCHEMBL8179609 0.67 PI4KA (0.37) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22474026 0.64 MEN1 (0.37) ALDH1A1SMN1; SMN2PI4KAPI4K2BPI4K2A
SCHEMBL32680234 0.64 ADORA2A (0.35) ALDH1A1HPGDPI4KAPI4K2BPI4K2A

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
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed