SCHEMBL8921173

SCHEMBL8921173

CCN(CC)c1ccc2c(c1)C(=N)NC21OC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP19A1 P11511 1/20 0.33
TERT O14746 1/20 0.33
S100B P04271 1/20 0.32
EGFR P00533 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8920322 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8921171 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8920313 0.77 ACHE (0.32) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL8919289 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8918851 0.76 PPOX (0.32)
SCHEMBL7824764 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8919249 0.74 MEN1 (0.36) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8920374 0.74 KMT2A (0.36) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8918904 0.74 ACHE (0.36) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL7827464 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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