SCHEMBL7815236

SCHEMBL7815236

CCCCC(C)COc1ccc2c(c1)C(=N)NC2=N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK2 Q15119 4/20 0.32
C3AR1 Q16581 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 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
SCHEMBL7824068 0.82 KMT2A (0.49) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL3207483 0.81 PDK2 (0.45) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7830756 0.79 NR5A1 (0.47) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL22522160 0.77 SLC2A1 (0.44) GPR88KDM4ESLC2A1
SCHEMBL11189556 0.76 NQO1 (0.46) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL7830630 0.74 MCHR1 (0.32)
SCHEMBL7782844 0.70 LTA4H (0.56) SMN1; SMN2LMNATSHR
SCHEMBL15029217 0.70 LMNA (0.53) PPARGPPARALMNAGPR88
SCHEMBL6683927 0.70 LMNA (0.53) PPARGPPARALMNAGPR88
SCHEMBL23278562 0.69 CYP3A4 (0.44) ALDH1A1L3MBTL1LMNATSHRGPR88

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