SCHEMBL10401161

SCHEMBL10401161

Cc1cccc([N+](=O)[O-])c1N(C(N)=O)c1nc(C)c(C)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
KCNMA1 Q12791 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 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
SCHEMBL9535470 0.89 SMN1; SMN2 (0.35) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9538333 0.83 TP53 (0.36) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9536816 0.83 SMN1; SMN2 (0.35) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL10400976 0.82 SMN1; SMN2 (0.37) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL10400132 0.80 MAPT (0.41) ALDH1A1LMNACYP2C9HSD17B10HPGD
SCHEMBL9504996 0.78 CYP1A2 (0.37) SMN1; SMN2TDP1L3MBTL1ALDH1A1LMNA
SCHEMBL10400134 0.78 NPY1R (0.36) TDP1L3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL10400912 0.78 NPY1R (0.35) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9539862 0.75 ALDH1A1 (0.35) SMN1; SMN2TSHRALDH1A1LMNAMEN1
SCHEMBL10517233 0.74 MAPK14 (0.36) ALDH1A1LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed