SCHEMBL7487601

SCHEMBL7487601

CC(C)=NN=C1NC(=O)C(Cc2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MMP1 P03956 11/20 0.46
MMP9 P14780 11/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TBXA2R P21731 1/20 0.38
MMP2 P08253 1/20 0.36
TRPA1 O75762 1/20 0.36
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL7487598 1.00 KMT2A (0.46) KMT2AMMP1MMP9SMN1; SMN2ALDH1A1
SCHEMBL7492801 0.84 CAPN1 (0.40) KMT2AMAPT
SCHEMBL7492804 0.84 CAPN1 (0.40) KMT2AMAPT
SCHEMBL7495854 0.82 HDAC8 (0.44) MMP1MMP9MAPT
SCHEMBL7495862 0.82 HDAC8 (0.44) MMP1MMP9MAPT
SCHEMBL7496709 0.81 HDAC8 (0.42) MMP1MMP9MAPT
SCHEMBL7496713 0.81 HDAC8 (0.42) MMP1MMP9MAPT
SCHEMBL7491073 0.78 DRD2 (0.37) KMT2AALDH1A1MAPTTRPA1
SCHEMBL7491080 0.78 DRD2 (0.37) KMT2AALDH1A1MAPTTRPA1
SCHEMBL7494338 0.78 MAPT (0.37) ALDH1A1MAPT

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
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed