SCHEMBL7830756

SCHEMBL7830756

CCCCCCOc1ccc2c(c1)C(=N)NC2=N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
PDK2 Q15119 2/20 0.47
PTPN11 Q06124 4/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.44
TP53 P04637 2/20 0.43
LTA4H P09960 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HTR1A P08908 3/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42

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 0.95 KMT2A (0.49) NR5A1PDK2PTPN11MAPTMEN1
SCHEMBL11189556 0.82 NQO1 (0.46) PDK2TSHRMAPTMEN1NPC1
SCHEMBL7827204 0.80 PDK2 (0.42) NR5A1PDK2PTPN11TSHRMAPT
SCHEMBL7830530 0.80 PDK2 (0.42) NR5A1PDK2PTPN11TSHRMAPT
SCHEMBL7815236 0.79 MEN1 (0.35) PDK2TSHRMAPTMEN1NPC1
SCHEMBL7827424 0.78 PDK2 (0.40) NR5A1PDK2PTPN11TSHRMAPT
SCHEMBL7826474 0.78 PDK2 (0.40) NR5A1PDK2PTPN11TSHRMAPT
SCHEMBL11333313 0.78 MAOA (0.61) NR5A1PDK2PTPN11MAPTMEN1
SCHEMBL7830265 0.77 PDK2 (0.47) NR5A1PDK2PTPN11TSHRMAPT
SCHEMBL7824752 0.77 PDK2 (0.47) NR5A1PDK2PTPN11TSHRMAPT

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