SCHEMBL13967973

SCHEMBL13967973

CN(C)P(=Nc1cccc(N=P(N(C)C)(N(C)C)N(C)C)c1-c1c(N=P(N(C)C)(N(C)C)N(C)C)cccc1N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL13967873 0.85 ALDH1A1 (0.32) CYP3A4ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13967977 0.80 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL13967965 0.79 GPR3 (0.32) CYP3A4ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13967988 0.77 MAOA (0.30)
SCHEMBL13967991 0.77
SCHEMBL13967909 0.77 SIGMAR1 (0.45) CYP3A4ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13967987 0.76 SIGMAR1 (0.35)
SCHEMBL13967886 0.74
SCHEMBL13967882 0.74
SCHEMBL13967963 0.73 CASP3 (0.40) ALDH1A1HSD17B10KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295148-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, ELECTRONIC APPLIANCE, POWER TOOL, ELECTRIC VEHICLE, AND ELECTRIC POWER STORAGE SYSTEM SONY CORPORATION (JP) 2012-11-22 US disclosed
US-20120295148-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, ELECTRONIC APPLIANCE, POWER TOOL, ELECTRIC VEHICLE, AND ELECTRIC POWER STORAGE SYSTEM SONY CORPORATION (JP) 2012-11-22 US disclosed