SCHEMBL6552161

SCHEMBL6552161

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
GFER P55789 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
SCHEMBL6553882 0.87 KMT2A (0.41) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6553441 0.84 TSHR (0.48) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6552324 0.82 TSHR (0.35) GAAMAPTKMT2AALDH1A1CYP3A4
SCHEMBL6552648 0.78 KMT2A (0.43) GAAMAPTKMT2AKDM4EMEN1
SCHEMBL6552139 0.76 MAPT (0.46) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL10935113 0.76
SCHEMBL6552149 0.74 S1PR2 (0.33)
SCHEMBL949243 0.69 GAA (0.45) GAAMAPTKMT2AALDH1A1CYP3A4
SCHEMBL10931726 0.68 LMNA (0.38) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6552483 0.68 KMT2A (0.42) GAAMAPTKMT2AALDH1A1SMN1; SMN2

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