SCHEMBL7217985

SCHEMBL7217985

Cc1c(-n2ccnc2NC(C)c2ccc(F)cc2)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 7/20 0.48
ATP1B1 P05026 7/20 0.48
ATP1A3 P13637 7/20 0.48
ATP1B2 P14415 7/20 0.48
ATP1A2 P50993 7/20 0.48
ATP1B3 P54709 7/20 0.48
FXYD2 P54710 7/20 0.48
ATP1A4 Q13733 7/20 0.48
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MEN1 O00255 1/20 0.39
CLK1 P49759 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL7216134 0.89 ATP1A1 (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222468 0.86 OPRD1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7215976 0.80 GAA (0.44) MEN1KMT2AOPRD1OPRK1MAPK1
SCHEMBL7215522 0.77 SOS1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7221629 0.75 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222405 0.69 SMN1; SMN2 (0.46) KMT2AGPR39OPRD1OPRK1FLT4
SCHEMBL7215726 0.68 OPRD1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7217987 0.67 CCNE2 (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7216328 0.66 GPR39 (0.43) MEN1KMT2AGPR39OPRD1OPRK1
SCHEMBL7221613 0.65 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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