SCHEMBL7831442

SCHEMBL7831442

COC1(OC)NC(=N)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.39
S100A4 P26447 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 4/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 1/20 0.36

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 0.79 TDP1 (0.40) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL8919109 0.75 TDP1 (0.36) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL7823198 0.74 PDK2 (0.33)
SCHEMBL7828048 0.73 CES1 (0.33)
SCHEMBL8920958 0.69 MAPT (0.33) TDP1S100A4SMN1; SMN2KMT2ACA1
SCHEMBL11420595 0.69 SMN1; SMN2 (0.44) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL7828013 0.68 S100A4 (0.55) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL1613571 0.68 S100A4 (0.46) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL7827809 0.68 ALDH1A1 (0.37) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A
SCHEMBL7822765 0.68 TDP1 (0.47) TDP1ALDH1A1S100A4SMN1; SMN2KMT2A

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