SCHEMBL8565904

SCHEMBL8565904

O=[N+]([O-])c1ccc(OP(=O)(O)OCl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL1134003 0.86 CA1 (0.56) PDE7AHSD17B10CES2CES1MAPT
SCHEMBL4535386 0.86 CA1 (0.56) PDE7AHSD17B10CES2CES1MAPT
SCHEMBL28734906 0.85 CA1 (0.54) PDE7AHSD17B10CES2CES1MAPT
SCHEMBL16571909 0.84 PDE7A (0.54) PDE7AHSD17B10CES2CES1MAPT
SCHEMBL16571907 0.84 PDE7A (0.54) PDE7AHSD17B10CES2CES1MAPT
Potassium Ion SCHEMBL28734908 0.84 PDE7A (0.50) PDE7AHSD17B10CES2CES1MAPT
SCHEMBL4535383 0.83 HSD17B10 (0.56) PDE7AHSD17B10MAPTALDH1A1LMNA
SCHEMBL16571905 0.81 PDE7A (0.57) PDE7AHSD17B10MAPTALDH1A1LMNA
SCHEMBL6330127 0.78 TDP1 (0.45) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL1134005 0.76 CES1 (0.80) HSD17B10CES2CES1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719030-A SUBTRACTING NON-PROSTATE DERIVED ACID PHOSPHATASE ACTIVITY MEASURED AFTER INHIBITION OF PROSTATE-DERIVED ACID PHOSPHATASE FROM MEASURED TOTAL ACID PHOSPHATASE ACTIVITY; SIMPLIFICATION NITTO BOSEKI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0363688-B1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO LTD (JP) 1994-01-05 EP disclosed
US-5227291-A METHOD FOR DETERMINATION OF ACID PHOSPHATASE ACTIVITY USING 4-ACYL-2, 6-DIHALOPHENYL PHOSPHORIC ACID DERIVATIVES NITTO BOSEKI CO., LTD. (JP) 1993-07-13 US disclosed
US-5151372-A Measurement of UV absorbance in the presence of bilirubin or hemoglobin NITTO BOSEKI CO., LTD. (JP) 1992-09-29 US disclosed
US-5081274-A Tumor diagnosis NITTO BOSEKI CO., LTD. (JP) 1992-01-14 US disclosed
EP-0363688-A1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO., LTD. (JP) 1990-04-18 EP disclosed