Phosphoric Acid

Phosphoric Acid

SCHEMBL11546533

COc1cc(NCCCC(C)N)c2nccc(C)c2c1.O=P(O)(O)O.O=P(O)(O)O

nearest known ligand 0.94

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ADRA1D known ✓ P25100 2/20 0.40
ADRA1A known ✓ P35348 2/20 0.40
ADRA1B known ✓ P35368 2/20 0.40
CASP6 P55212 3/20 0.94
NSD2 O96028 2/20 0.94
RAD52 P43351 2/20 0.94
CASP7 P55210 2/20 0.94
HSP90AA1 P07900 10/20 0.70
HSP90AB1 P08238 10/20 0.70
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
THRB P10828 2/20 0.59
HTT P42858 2/20 0.59
TDP2 O95551 1/20 0.59
FGB P02675 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59

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
Pyrophosphoric Acid SCHEMBL11546529 0.95 CASP6 (0.86) CASP6NSD2RAD52CASP7HSP90AA1
SCHEMBL4728412 0.94 NSD2 (0.83) CASP6NSD2RAD52CASP7HSP90AA1
Quinocide SCHEMBL2286358 0.83 MEN1 (0.88) CASP6NSD2RAD52CASP7HSP90AA1
Phosphoric Acid SCHEMBL11544230 0.80 MEN1 (0.62) CASP6NSD2RAD52CASP7HSP90AA1
SCHEMBL10731681 0.80 NSD2 (0.71) CASP6NSD2RAD52CASP7HSP90AA1
Phosphoric Acid SCHEMBL11546710 0.79 CASP6 (0.67) CASP6NSD2RAD52CASP7ALDH1A1
SCHEMBL14424689 0.79 NSD2 (0.93) CASP6NSD2RAD52CASP7HSP90AA1
SCHEMBL14424701 0.79 NSD2 (0.93) CASP6NSD2RAD52CASP7HSP90AA1
SCHEMBL4726902 0.79 NSD2 (0.70) CASP6NSD2RAD52CASP7HSP90AA1
SCHEMBL8902067 0.79 NSD2 (0.70) CASP6NSD2RAD52CASP7HSP90AA1

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