SCHEMBL6552648

SCHEMBL6552648

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
PLAA Q9Y263 1/20 0.37

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
SCHEMBL6552483 0.88 KMT2A (0.42) KMT2AKDM4EGAAMEN1MAPK1
SCHEMBL6552493 0.85 HTT (0.53) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL6552161 0.78 GAA (0.41) KMT2AKDM4EGAAMEN1MAPK1
SCHEMBL6553566 0.76 L3MBTL1 (0.46) KMT2AMAPK1MAPTLMNANPC1
SCHEMBL6553586 0.76 S1PR2 (0.34)
SCHEMBL6553882 0.71 KMT2A (0.41) KMT2AKDM4EGAAMAPK1MAPT
SCHEMBL30378441 0.69 S1PR2 (0.31)
SCHEMBL6553441 0.69 TSHR (0.48) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL22853792 0.68 LMNA (0.64) KMT2AKDM4EGAAMEN1MAPK1
SCHEMBL3266109 0.66 MAPT (0.53) KMT2AKDM4EGAAMEN1MAPK1

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