SCHEMBL11275342

SCHEMBL11275342

CCN(CC)c1ccc(C(c2ccccc2N(CCO)CCO)c2ccccc2N(CCO)CCO)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
HTT P42858 2/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.65
MCL1 Q07820 1/20 0.65
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
S100B P04271 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
S1PR1 P21453 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 3/20 0.36
POLB P06746 1/20 0.36
MMP14 P50281 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5010114 0.83 MAPT (0.49) MAPTHTTGAAPKMMCL1
SCHEMBL7650155 0.82 MAPT (0.61) MAPTHTTGAAPKMMCL1
SCHEMBL5009578 0.80 MAPT (0.59) MAPTHTTGAAPKMMCL1
SCHEMBL12342190 0.80 MAPT (0.55) MAPTHTTGAAPKMMCL1
SCHEMBL81551 0.80 S100B (0.58) MAPTHTTGAAPKMMCL1
SCHEMBL2759054 0.79 MAPT (1.00) MAPTHTTGAAPKMMCL1
Hydrochloric Acid SCHEMBL237984 0.79 S100B (0.56) MAPTHTTGAAPKMMCL1
SCHEMBL2759023 0.78 MAPT (0.90) MAPTHTTGAAPKMMCL1
Hydrochloric Acid SCHEMBL6373886 0.77 S100B (0.55) MAPTHTTGAAPKMMCL1
SCHEMBL16136833 0.77 MAPT (0.85) MAPTHTTGAAPKMMCL1

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-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed