SCHEMBL3341185

SCHEMBL3341185

O=CCCCNc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.75
ACP1 P24666 7/20 0.65
SMARCA2 P51531 1/20 0.57

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
SCHEMBL3343401 0.84 CYP2C19 (0.63) SLC2A1ACP1
SCHEMBL8270989 0.84 PDE10A (0.71) SLC2A1ACP1
SCHEMBL27466621 0.83 SLC2A1 (0.79) SLC2A1ACP1SMARCA2
SCHEMBL8270993 0.82 ACP1 (0.58) SLC2A1ACP1
SCHEMBL3349363 0.82 SLC2A1 (0.82) SLC2A1ACP1
SCHEMBL16123717 0.80 SLC2A1 (0.85) SLC2A1ACP1
SCHEMBL8270979 0.80 ACP1 (0.60) SLC2A1ACP1
Hydrochloric Acid SCHEMBL6534173 0.79 SLC2A1 (0.76) SLC2A1ACP1SMARCA2
SCHEMBL8269605 0.78 PDE10A (0.74) SLC2A1ACP1
SCHEMBL28193696 0.77 SLC2A1 (0.56) SLC2A1ACP1

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-2010089341-A1 NOVEL VANCOMYCIN-AMINOQUINOLINE HYBRID MOLECULES THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PALUMED S.A. (FR) 2010-08-12 WO disclosed