SCHEMBL8918252

SCHEMBL8918252

N=C1NC2(OCCO2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.46
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 1/20 0.38
CA9 Q16790 2/20 0.38
PGR P06401 2/20 0.38
CA12 O43570 1/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL8918874 0.89 TDP1 (0.45) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL8918256 0.81 TDP1 (0.40) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL8920380 0.75 TDP2 (0.38) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL7822765 0.74 TDP1 (0.47) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL8920932 0.71 PDE7A (0.38) TDP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8920524 0.70 CDK2 (0.40) TDP2TDP1ALDH1A1MEN1KMT2A
SCHEMBL7826734 0.70 TDP1 (0.43) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL8918880 0.70 TDP1 (0.40) TDP2CYP3A4TDP1CAPN9CASP3
SCHEMBL8919105 0.69 S100A4 (0.37) TDP2TDP1ALDH1A1MEN1KMT2A
SCHEMBL12643954 0.69 ALDH1A1 (0.53) TDP2CYP3A4TDP1ALDH1A1MAPT

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