SCHEMBL6552139

SCHEMBL6552139

Cc1ccnc(NP(N)(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SORT1 Q99523 1/20 0.41
PKM P14618 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
FASN P49327 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6553566 0.81 L3MBTL1 (0.46) MAPTCYP2C9L3MBTL1NPSR1NPC1
SCHEMBL6552161 0.76 GAA (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL963694 0.74
SCHEMBL6552541 0.73 ALDH1A1 (0.39) NPSR1ALDH1A1GAALMNA
SCHEMBL15881328 0.73 L3MBTL1 (0.55) MAPTCYP2C9L3MBTL1NPSR1NPC1
SCHEMBL14298343 0.72 L3MBTL1 (0.54) MAPTCYP2C9L3MBTL1NPSR1NPC1
SCHEMBL1673177 0.71
Hydrochloric Acid SCHEMBL28957211 0.70 NPSR1 (0.47) MAPTCYP2C9L3MBTL1NPSR1NPC1
SCHEMBL6861720 0.69 NPSR1 (0.47) MAPTCYP2C9L3MBTL1NPSR1NPC1
SCHEMBL6861724 0.69 NPSR1 (0.47) MAPTCYP2C9L3MBTL1NPSR1NPC1

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