Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL11544226

COc1cc(NCCCC(C)N)c2nc(C)ccc2c1.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HSP90AA1 P07900 9/20 0.58
HSP90AB1 P08238 9/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
THRB P10828 2/20 0.58
HTT P42858 2/20 0.58
TDP2 O95551 1/20 0.58
FGB P02675 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
NR4A1 P22736 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
Phosphoric Acid SCHEMBL11544230 0.95 MEN1 (0.62) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL4729413 0.91 MEN1 (0.70) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Pyrophosphoric Acid SCHEMBL11546529 0.81 CASP6 (0.86) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Quinocide SCHEMBL2286358 0.80 MEN1 (0.88) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL6270978 0.77 MEN1 (0.66) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Phosphoric Acid SCHEMBL11546533 0.75 CASP6 (0.94) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Quinocide SCHEMBL157174 0.75 MEN1 (1.00) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Quinocide SCHEMBL29720457 0.75 MEN1 (1.00) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Quinocide SCHEMBL707955 0.74 HSP90AA1 (1.00) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
Quinocide SCHEMBL30823571 0.74 HSP90AA1 (1.00) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1

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
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US disclosed