SCHEMBL6553566

SCHEMBL6553566

Cc1ccnc(NP(=O)(Cl)Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 5/20 0.41
PKM P14618 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
FASN P49327 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL6552139 0.81 MAPT (0.46) L3MBTL1NPSR1MAPTCYP2C9MAPK1
SCHEMBL6552648 0.76 KMT2A (0.43) MAPTMAPK1NPC1RAB9ALMNA
SCHEMBL6553790 0.73 ALDH1A1 (0.39) NPSR1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1673177 0.71
Hydrochloric Acid SCHEMBL28957211 0.70 NPSR1 (0.47) L3MBTL1NPSR1MAPTCYP2C9MAPK1
SCHEMBL963694 0.70
SCHEMBL6861720 0.69 NPSR1 (0.47) L3MBTL1NPSR1MAPTCYP2C9MAPK1
SCHEMBL6861724 0.69 NPSR1 (0.47) L3MBTL1NPSR1MAPTCYP2C9MAPK1
SCHEMBL15881328 0.69 L3MBTL1 (0.55) L3MBTL1NPSR1MAPTCYP2C9NPC1
SCHEMBL12521843 0.68 NPSR1 (0.46) L3MBTL1NPSR1MAPTCYP2C9MAPK1

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