SCHEMBL8650854

SCHEMBL8650854

N=C(N)NNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 2/20 0.66
TSHR P16473 1/20 0.58
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 3/20 0.55
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
NLRP3 Q96P20 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 1/20 0.53
LMNA P02545 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL27472751 0.88 MEN1 (0.72) MEN1KMT2APOLBTSHRMAPT
SCHEMBL28723007 0.88 MEN1 (0.82) MEN1KMT2APOLBTSHRMAPT
SCHEMBL28103256 0.83 MEN1 (0.66) MEN1KMT2APOLBTSHRMAPT
SCHEMBL4929277 0.81 MEN1 (0.77) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL222685 0.79 MEN1 (0.70) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL28007431 0.78 MAPT (0.76) MEN1KMT2APOLBTSHRMAPT
SCHEMBL9592831 0.77 TSHR (0.63) MEN1KMT2APOLBTSHRMAPT
SCHEMBL14641039 0.77 MEN1 (0.67) MEN1KMT2APOLBTSHRMAPT
SCHEMBL165760 0.77 TSHR (0.62) MEN1KMT2APOLBTSHRMAPT
SCHEMBL5464442 0.77 APEX1 (0.52) MEN1KMT2APOLBMAPTGAA

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-5849469-A Process for forming an image using novel magneta couplers for color photography EASTMAN KODAK COMPANY (US) 1998-12-15 US disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed
EP-0576430-A1 NOVEL MAGENTA COUPLERS FOR COLOUR PHOTOGRAPHY KODAK LIMITED (GB) 1994-01-05 EP disclosed
WO-1992012464-A1 NOVEL MAGENTA COUPLERS FOR COLOUR PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1992-07-23 WO disclosed