SCHEMBL6553882

SCHEMBL6553882

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6552161 0.87 GAA (0.41) KMT2ALMNAMAPTALDH1A1MAPK1
SCHEMBL6552149 0.87 S1PR2 (0.33)
SCHEMBL6552483 0.84 KMT2A (0.42) KMT2ACYP1A2CASP1LMNAHTT
SCHEMBL10932982 0.80 CYP2D6 (0.31)
SCHEMBL6553441 0.76 TSHR (0.48) KMT2ACYP1A2LMNAHTTMAPT
SCHEMBL6552324 0.75 TSHR (0.35) KMT2ACYP1A2LMNAHTTMAPT
SCHEMBL1672474 0.72 POLB (0.50) KMT2ACYP1A2CASP1LMNAHTT
SCHEMBL31235463 0.71 KMT2A (0.55) KMT2ACYP1A2CASP1LMNAMAPT
SCHEMBL6552648 0.71 KMT2A (0.43) KMT2ALMNAMAPTMAPK1KDM4E
SCHEMBL10931726 0.70 LMNA (0.38) KMT2ACYP1A2LMNAMAPTALDH1A1

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-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