SCHEMBL9851939

SCHEMBL9851939

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.55
CA12 O43570 1/20 0.52
MMP2 P08253 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TLR7 Q9NYK1 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44

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
SCHEMBL9053357 0.81 ALDH1A1 (0.57) ALDH1A1CES2CES1MAPTKDM4E
SCHEMBL9851938 0.81 CA12 (0.58) OGG1CA12MMP2CA14ALDH1A1
SCHEMBL11442099 0.79 ALDH1A1 (0.59) ALDH1A1CES2CES1MAPTGAA
SCHEMBL11435184 0.79 MEN1 (0.50) ALDH1A1CES2CES1SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL9851943 0.79 CA12 (0.56) OGG1CA12MMP2CA14ALDH1A1
SCHEMBL11430048 0.78 ALOX15 (0.54) CA12ALDH1A1CES1MAPTKDM4E
SCHEMBL11435647 0.76 NPC1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16898218 0.76 CA12 (0.58) OGG1CA12MMP2CA14ALDH1A1
SCHEMBL11441605 0.76 HDAC1 (0.60) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL8575647 0.76 OGG1 (0.61) OGG1CA12MMP2CA14ALDH1A1

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-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