SCHEMBL7717253

SCHEMBL7717253

CN(C=O)c1ccccc1P(c1ccccc1N(C)C=O)c1ccccc1N(C)C=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL31688098 0.75 MAPT (0.43) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL6140004 0.75 MAPT (0.43) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL2093826 0.74 ALDH1A1 (0.43) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL15657280 0.73 MAPT (0.41) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL9462171 0.72 MAPT (0.33) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL2697491 0.72 CHEK1 (0.41) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL2090253 0.72 C1R (0.37) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL2092841 0.72 ACHE (0.36) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL2697490 0.72 MAPT (0.33) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL25939297 0.72 TRIM24 (0.41) ALDH1A1TP53GAAMAPTTSHR

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-6369206-B1 OF THE FORMULA (M)N(SR)M WHERE M IS GOLD, SILVER, PLATINUM, PALLADIUM, OR THALLIUM, AND (SR)M IS ORGANOTHIOL MOIETIES; BIOCONJUGATES NANOPROBES, INC 2002-04-09 US disclosed