SCHEMBL8603744

SCHEMBL8603744

Nc1cc([N+](=O)[O-])ccc1NC(CO)(CO)CO.Nc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 8/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL29452975 0.83 MAPT (0.55) KMT2AALDH1A1TDP1TSHRMAPT
SCHEMBL123429 0.83 MAPT (0.55) KMT2AALDH1A1TDP1TSHRMAPT
SCHEMBL29390674 0.83 ALDH1A1 (0.62) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL109433 0.83 ALDH1A1 (0.62) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL108393 0.81 KMT2A (0.65) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL29390080 0.81 KMT2A (0.65) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL563763 0.79 PKM (0.67) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL6001204 0.78 GAA (0.53) KMT2AALDH1A1TDP1TSHRMAPT
SCHEMBL27758391 0.76 ALDH1A1 (0.51) PKMKMT2AALDH1A1TDP1TSHR
SCHEMBL9820097 0.76 PRSS1 (0.57) PKMALDH1A1TDP1TSHRMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633915-B1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA GABRIELE (IT) 1998-02-04 EP disclosed