SCHEMBL7827809

SCHEMBL7827809

CCOC1(OCC)NC(=N)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
S100A4 P26447 2/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CACNA1C Q13936 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
PTPRC P08575 1/20 0.34
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL7827740 0.85 TDP1 (0.40) ALDH1A1TDP1S100A4KMT2AMAPT
SCHEMBL7825414 0.76 NLRP3 (0.33) MAPT
SCHEMBL7816569 0.74 GAA (0.33) ALDH1A1LMNATDP1KMT2AMAPT
SCHEMBL7829348 0.73 NLRP3 (0.31) CA2
SCHEMBL7824968 0.72 DDB1 (0.32)
SCHEMBL7826734 0.72 TDP1 (0.43) ALDH1A1LMNATDP1S100A4KMT2A
SCHEMBL7826155 0.71 PDE5A (0.34) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL7826158 0.70 LTA4H (0.35) ALDH1A1LMNATDP1KMT2AMAPT
SCHEMBL8920532 0.70 TDP1 (0.37) ALDH1A1TDP1S100A4KMT2AMAPT
SCHEMBL7823289 0.70 SMN1; SMN2 (0.39) ALDH1A1LMNAKMT2AMAPTMEN1

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 5 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
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed