SCHEMBL7817467

SCHEMBL7817467

CC(C)(C#N)c1snc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 2/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
PARP1 P09874 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1G2 P78368 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL6589102 0.77 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL11920449 0.75 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL7486028 0.74 SMN1; SMN2 (0.41) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL7815141 0.74 TXNRD1 (0.45) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
Nitrogen SCHEMBL27809397 0.73 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL2964632 0.72 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL10510783 0.69 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL2815590 0.68 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2HTTCYP3A4
SCHEMBL22165266 0.68 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2HTTCYP3A4
SCHEMBL395484 0.68 HSD17B10 (0.47) ALDH1A1MEN1POLBKMT2AMAPT

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
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed