SCHEMBL7216362

SCHEMBL7216362

CCC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 11/20 0.72
ATP1B1 P05026 11/20 0.72
ATP1A3 P13637 11/20 0.72
ATP1B2 P14415 11/20 0.72
ATP1A2 P50993 11/20 0.72
ATP1B3 P54709 11/20 0.72
FXYD2 P54710 11/20 0.72
ATP1A4 Q13733 11/20 0.72
GAA P10253 6/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7216242 0.85 ATP1A1 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215986 0.84 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7218018 0.74 ATP1A1 (0.78) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222175 0.74 GAA (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7217993 0.72 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215726 0.70 OPRD1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215736 0.70 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216645 0.69 GAA (0.82) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL24069085 0.64 POLB (0.48) GAAKMT2A
SCHEMBL30209754 0.64 POLB (0.48) GAAKMT2A

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed