SCHEMBL6552483

SCHEMBL6552483

Cc1cc(Cl)nc(NP(=O)(Cl)Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AGTR1 P30556 1/20 0.33

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
SCHEMBL6552648 0.88 KMT2A (0.43) KMT2ALMNAKDM4EMAPTMAPK1
SCHEMBL6553586 0.86 S1PR2 (0.34)
SCHEMBL6553882 0.84 KMT2A (0.41) KMT2ACYP1A2CASP1LMNAHTT
SCHEMBL30378441 0.79 S1PR2 (0.31)
SCHEMBL28209707 0.79 S1PR2 (0.31)
SCHEMBL6552493 0.79 HTT (0.53) KMT2ACYP1A2LMNAHTTKDM4E
SCHEMBL1672474 0.74 POLB (0.50) KMT2ACYP1A2CASP1LMNAHTT
SCHEMBL8349356 0.73 KMT2A (0.54) KMT2ACYP1A2CASP1LMNAKDM4E
SCHEMBL12933406 0.73 KMT2A (0.41) KMT2ACYP1A2CASP1LMNAHTT
SCHEMBL12963418 0.70 KMT2A (0.50) KMT2ACYP1A2CASP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282628-B1 N-(2-PYRIMIDINYL)(THIO)PHOSPHORIC TRIAMIDES, METHOD FOR PRODUCING THE SAME, AND THE USE THEREOF AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC UREA HYDROLYSIS PIESTERITZ STICKSTOFF (DE) 2004-02-11 EP disclosed
EP-1282628-A2 N-(2-PYRIMIDINYL)(THIO)PHOSPHORIC TRIAMIDES, METHOD FOR PRODUCING THE SAME, AND THE USE THEREOF AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC UREA HYDROLYSIS SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) 2003-02-12 EP disclosed
WO-2001087898-A2 N-(2-PYRIMIDINYL)(THIO)PHOSPHORIC TRIAMIDES, METHOD FOR PRODUCING THE SAME, AND THE USE THEREOF AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC UREA HYDROLYSIS SKW STICKSTOFFWERKE PIESTERITZ GMBH (DE) 2001-11-22 WO disclosed