SCHEMBL7831387

SCHEMBL7831387

CCN(CC)c1ccc2c(c1)C(OC)(OC)NC2=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
EGFR P00533 1/20 0.38
TERT O14746 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
S100B P04271 1/20 0.36
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GFER P55789 2/20 0.33
CYP19A1 P11511 1/20 0.33
PSMD14 O00487 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7828095 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL7824764 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL7827464 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL8920321 0.77 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL8920322 0.76 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL7827909 0.76 PDK2 (0.42) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL7827374 0.74 AKR1B1 (0.39)
SCHEMBL7817179 0.74 MEN1 (0.40) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL7830525 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTHSD17B10MEN1
SCHEMBL7825876 0.74 PDK2 (0.44) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed