SCHEMBL8301568

SCHEMBL8301568

CN1CCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 3/20 0.61
CYP19A1 P11511 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HTR7 P34969 3/20 0.51
HTR6 P50406 1/20 0.51
MBTD1 Q05BQ5 1/20 0.50

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
SCHEMBL17373973 0.93 MEN1 (0.67) ALDH1A1MEN1KMT2APOLBCYP19A1
Hydrochloric Acid SCHEMBL2140664 0.83 HTR7 (0.69) ALDH1A1MEN1KMT2APOLBHTR7
SCHEMBL8298907 0.81 HTR7 (0.56) ALDH1A1POLBL3MBTL1HTR7HTR6
SCHEMBL5813426 0.81 ALDH1A1 (0.87) ALDH1A1MEN1KMT2APOLBCYP19A1
SCHEMBL2034554 0.80 KMT2A (0.78) ALDH1A1MEN1KMT2APOLBCYP19A1
SCHEMBL4222537 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APOLBHTR7
Hydrochloric Acid SCHEMBL4232329 0.80 HTR7 (0.70) ALDH1A1MEN1KMT2APOLBHTR7
SCHEMBL4616665 0.80 SFRP1 (0.65) ALDH1A1POLBL3MBTL1HTR7HTR6
Dinsed SCHEMBL1814194 0.80 KMT2A (1.00) ALDH1A1MEN1KMT2APOLBCYP19A1
Hydrochloric Acid SCHEMBL4230045 0.79 HTR7 (0.69) ALDH1A1MEN1KMT2APOLBHTR7

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
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
EP-1781659-B1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 EP disclosed
WO-2005012304-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed