SCHEMBL9851938

SCHEMBL9851938

O=C(NP(=O)(O)O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
MMP2 P08253 1/20 0.58
CA14 Q9ULX7 1/20 0.58
OGG1 O15527 1/20 0.57
ALDH1A1 P00352 3/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
HDAC3 O15379 1/20 0.46

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
Hydrochloric Acid SCHEMBL9851943 0.98 CA12 (0.56) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL9851939 0.81 OGG1 (0.55) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL19133556 0.78 LMNA (0.55) CA12ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL9851930 0.78 ALDH1A1 (0.57) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL16898218 0.78 CA12 (0.58) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL9767660 0.77 KDM4E (0.56) CA12ALDH1A1CES2CES1MAPT
Hydrochloric Acid SCHEMBL9851935 0.77 ALDH1A1 (0.55) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL1982518 0.77 POLB (0.68) OGG1ALDH1A1CES2CES1MAPT
SCHEMBL13481186 0.77 POLB (0.68) OGG1ALDH1A1CES2CES1MAPT
SCHEMBL8575405 0.77 OGG1 (0.67) CA12MMP2CA14OGG1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407583-A1 DERIVATIVES OF DICHLORANHYDRIDES OF ACYLAMIDOPHOSPHORIC ACIDS AND INSECTICIDAL, FUNGIDICIDAL AND HEMATOCIDAL PREPARATIONS BASED ON THEM KIEVSKY NAUCHNO-ISSLEDOVATELSKY INSTITUT EPIDEMIOLOGII I INFEKTSIONNYKH BOLEZNEI IMENI L.V. GROMASCHEVSKOGO (SU) 1991-01-16 EP claimed
EP-0407583-A1 DERIVATIVES OF DICHLORANHYDRIDES OF ACYLAMIDOPHOSPHORIC ACIDS AND INSECTICIDAL, FUNGIDICIDAL AND HEMATOCIDAL PREPARATIONS BASED ON THEM KIEVSKY NAUCHNO-ISSLEDOVATELSKY INSTITUT EPIDEMIOLOGII I INFEKTSIONNYKH BOLEZNEI IMENI L.V. GROMASCHEVSKOGO (SU) 1991-01-16 EP disclosed