SCHEMBL8921171

SCHEMBL8921171

CCN(CC)c1ccc2c(c1)C(=N)NC21OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TERT O14746 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 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
SCHEMBL8920321 0.89 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8921173 0.83 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7824764 0.77 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8919838 0.75 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7827464 0.74 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8920206 0.73 NPC1 (0.32) ALDH1A1L3MBTL1CYP19A1NPC1RAB9A
SCHEMBL7830525 0.73 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8920322 0.72 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8920911 0.71 DDB1 (0.33) DDB1CRBN
SCHEMBL7816522 0.70 MEN1 (0.34) ALDH1A1MEN1KMT2AHSD17B10MAPK1

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