SCHEMBL5973733

SCHEMBL5973733

CNc1nc(CC(N)=O)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 4/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 3/20 0.33
ACHE P22303 2/20 0.33
GALR2 O43603 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 1/20 0.32
CYP2C19 P33261 1/20 0.32
HBB P68871 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
BCHE P06276 1/20 0.32
HPGD P15428 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL5974463 0.86 HTT (0.42) HTTMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL14836661 0.75 LMNA (0.41) HTTMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL5973243 0.73 TLR7 (0.46) HTTMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL5418906 0.73 MEN1 (0.49) HTTMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL4846686 0.69 POLB (0.32) POLB
SCHEMBL11675190 0.69 PGK1 (0.48) MAPTSMN1; SMN2TDP1LMNANPC1
SCHEMBL2178028 0.68 ALDH1A1 (0.35) HTTMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL11676864 0.67 DPP4 (0.40) HTTMAPTKMT2AMEN1TDP1
SCHEMBL5973745 0.67 GRIN2D (0.38) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7217092 0.66 ABCG2 (0.43) HTTMAPTSMN1; SMN2RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39112-E1 Purine derivatives and adenosine A2 receptor antagonists serving as preventives/remedies for diabetes EISAI CO., LTD. (JP) 2006-05-30 US disclosed
US-6579868-B1 Reacting a 2,6-dihalo-substituted purine compound with ammonia or an amine EISAI CO., LTD. (JP) 2003-06-17 US disclosed
EP-1054012-B1 PURINE DERIVATIVES AND ADENOSINE A2 RECEPTOR ANTAGONISTS SERVING AS PREVENTIVES/REMEDIES FOR DIABETES EISAI CO LTD (JP) 2003-06-11 EP disclosed
EP-1300147-A1 Purine compounds and adenosine A2 receptor antagonist as preventive or therapeutic agent for diabetes mellitus Eisai Co. Ltd (JP) 2003-04-09 EP disclosed
EP-1054012-A1 PURINE DERIVATIVES AND ADENOSINE A2 RECEPTOR ANTAGONISTS SERVING AS PREVENTIVES/REMEDIES FOR DIABETES Eisai Co., Ltd. (JP) 2000-11-22 EP disclosed