SCHEMBL7609773

SCHEMBL7609773

CC(C)CCC(C)c1ccc(N)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 2/20 0.39
ALDH1A1 P00352 4/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
AKT1 P31749 1/20 0.33
CNR2 P34972 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL819512 0.85 TDP1 (0.39) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL1772000 0.80 GAA (0.43) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL7855771 0.79 TSHR (0.38) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL2386784 0.76 ALDH1A1 (0.36) TDP1CASP1ALDH1A1POLBCASP7
SCHEMBL29368425 0.74 CASP1 (0.48) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL49477 0.74 CASP1 (0.48) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL5486247 0.74 CASP1 (0.48) TDP1CASP1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL11217552 0.73 CASP1 (0.46) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL10886184 0.72 ALDH1A1 (0.40) TDP1CASP1ALDH1A1GAAKDM4E
SCHEMBL17385275 0.71 CASP1 (0.44) TDP1CASP1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922117-A Ink compositions containing alcohols XEROX CORPORATION (US) 1999-07-13 US claimed
US-6495243-B1 Recording substrates for ink jet printing XEROX CORPORATION 2002-12-17 US disclosed
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US disclosed
US-6113678-A Hot melt inks containing polyanhydrides XEROX CORPORATION (US) 2000-09-05 US disclosed
US-5922117-A Ink compositions containing alcohols XEROX CORPORATION (US) 1999-07-13 US disclosed
US-5795695-A PHOTO-QUALITY RECORDING XEROX CORPORATION (US) 1998-08-18 US disclosed
US-5795696-A Laminatable backing substrates containing paper desizing agents XEROX CORPORATION (US) 1998-08-18 US disclosed
US-5759734-A Method of generating simulated photographic-quality images on luminescent melt-formed backing substrates XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5759727-A TONER IMAGE ON TRANSPARENT SUBSTRATE; MELT POLYMER BACKING XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US disclosed