SCHEMBL9536816

SCHEMBL9536816

Cc1cccc([N+](=O)[O-])c1N(C(N)=O)c1nc2c(c(C(F)(F)F)n1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ACHE P22303 6/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 2/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 1/20 0.33

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
SCHEMBL10400976 0.99 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1NPY1RNPY2RHSD17B10
SCHEMBL9538333 0.98 TP53 (0.36) SMN1; SMN2L3MBTL1NPY1RNPY2RHSD17B10
SCHEMBL10400134 0.93 NPY1R (0.36) L3MBTL1NPY1RNPY2RACHETP53
SCHEMBL10400912 0.91 NPY1R (0.35) SMN1; SMN2L3MBTL1NPY1RNPY2RACHE
SCHEMBL10400075 0.91 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1NPY1RNPY2RHSD17B10
SCHEMBL10400076 0.89 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1HSD17B10ACHETP53
SCHEMBL10400132 0.88 MAPT (0.41) HSD17B10ACHETP53LMNAPDE4B
SCHEMBL9536988 0.85 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1HSD17B10ACHETP53
SCHEMBL10517472 0.85 NPY1R (0.35) SMN1; SMN2L3MBTL1NPY1RNPY2RACHE
SCHEMBL10517367 0.84 TP53 (0.39) SMN1; SMN2L3MBTL1NPY1RNPY2RHSD17B10

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
JP-2006477-A None JP disclosed
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
JP-H026477-A N-PHENYL-N-PYRIMIDIN-2-YL UREA HAVING HERBICIDAL AND PLANT GROWTH REGULATING ACTIVITY CIBA GEIGY AG 1990-01-10 JP disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed