Phosphoric Acid

Phosphoric Acid

SCHEMBL11545454

COc1cc(NCCCC(C)N)c2nc(C)cc(C)c2c1OC.O=P(O)(O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.34
RAD52 P43351 2/20 0.50
CASP7 P55210 2/20 0.50
CASP6 P55212 2/20 0.50
NSD2 O96028 1/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
TDP2 O95551 1/20 0.42
FGB P02675 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
NR4A1 P22736 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4728398 0.94 MEN1 (0.47) RAD52CASP7CASP6NSD2MEN1
SCHEMBL11547799 0.77 POLB (0.37) RAD52MEN1KMT2AKDM4EHSP90AA1
Phosphoric Acid SCHEMBL11544230 0.75 MEN1 (0.62) RAD52CASP7CASP6NSD2MEN1
Pyrophosphoric Acid SCHEMBL11544226 0.71 MEN1 (0.59) RAD52CASP7CASP6NSD2MEN1
SCHEMBL4726086 0.70 MEN1 (0.48) RAD52CASP7CASP6NSD2MEN1
SCHEMBL5315847 0.69 ESR1 (0.72) RAD52CASP7CASP6NSD2MEN1
Phosphoric Acid SCHEMBL11546533 0.69 CASP6 (0.94) RAD52CASP7CASP6NSD2MEN1
SCHEMBL6268423 0.69 MEN1 (0.47) RAD52CASP7CASP6NSD2MEN1
Quinocide SCHEMBL2286358 0.68 MEN1 (0.88) RAD52CASP7CASP6NSD2MEN1
SCHEMBL6380626 0.68 MAOA (0.69) RAD52CASP7CASP6NSD2MEN1

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