SCHEMBL7827484

SCHEMBL7827484

CCCOc1ccc2c(c1)C(=N)NC2(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
C3AR1 Q16581 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX12 P18054 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7815934 0.95 MEN1 (0.41) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7826474 0.91 PDK2 (0.40) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7827424 0.91 PDK2 (0.40) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7816180 0.90 ALDH1A1 (0.43) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7828451 0.89 PDK2 (0.42) PDK2C3AR1MEN1KMT2AMAOA
SCHEMBL7816279 0.89 PDK2 (0.39) PDK2C3AR1MEN1KMT2AMAOA
SCHEMBL7817014 0.84 PDK2 (0.42) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7830753 0.83 MEN1 (0.40) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7825985 0.81 PDK2 (0.46) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7827212 0.81 PDK2 (0.46) PDK2MEN1KMT2AALDH1A1MAPT

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