SCHEMBL6998780

SCHEMBL6998780

CNS(=O)(=O)c1ccc([C@@H]2C[C@H]2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.55
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA13 Q8N1Q1 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48

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
SCHEMBL6998779 1.00 KDM1A (0.55) KDM1AMAOAMAOBSMN1; SMN2GAA
SCHEMBL15212423 0.79 KDM1A (0.60) KDM1AMAOAMAOBKDM4EMAPT
Hydrochloric Acid SCHEMBL7093973 0.79 KDM1A (0.58) KDM1AMAOAMAOBSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7093972 0.79 KDM1A (0.58) KDM1AMAOAMAOBSMN1; SMN2GAA
SCHEMBL6993703 0.77 KDM1A (0.57) KDM1AMAOAMAOBKDM4EMAPT
SCHEMBL6993699 0.77 KDM1A (0.57) KDM1AMAOAMAOBKDM4EMAPT
SCHEMBL7629070 0.76 SMN1; SMN2 (0.80) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7096726 0.72 MAOA (0.42) KDM1AMAOAMAOBSMN1; SMN2GAA
SCHEMBL7096728 0.72 MAOA (0.42) KDM1AMAOAMAOBSMN1; SMN2GAA
SCHEMBL687206 0.70 SMN1; SMN2 (0.64) SMN1; SMN2GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 EP disclosed
US-6369064-B1 MYOCARDIAL INFARCTION AND UNSTABLE ANGINA; P2T-RECEPTOR ANTAGONISTS; ANTITHROMBOTIC AGENTS; 7-(SUBSTITUTED AMINO) -5-(THIO)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-3-YL) -CYCLOPENTANECARBOXAMIDES ASTRAZENECA AB (SE) 2002-04-09 US disclosed