SCHEMBL8920277

SCHEMBL8920277

CCCCCCOc1cccc2c1C(=N)NC21CCCOO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.38
MCHR1 Q99705 2/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL8921238 1.00 PRKCA (0.38) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL8919056 0.88 PDK2 (0.34) MEN1MAPTHTR2BSLC6A3KMT2A
SCHEMBL8920255 0.84 PDE5A (0.33) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL8917905 0.84 PDE5A (0.33) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL8918925 0.82 TXNRD1 (0.38) KMT2A
SCHEMBL8917814 0.78 PDE7A (0.33)
SCHEMBL8919749 0.78 PRKCA (0.43) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL8919132 0.78 PRKCA (0.43) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL9090381 0.78 PDE5A (0.34) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL8920247 0.77 PDK2 (0.35) MEN1LMNAMAPTKMT2A

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