SCHEMBL9538333

SCHEMBL9538333

Cc1cccc([N+](=O)[O-])c1N(C(N)=O)c1nc2c(c(C(F)(F)F)n1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
ACHE P22303 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31

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
SCHEMBL9536816 0.98 SMN1; SMN2 (0.35) TP53NPY1RNPY2RACHESMN1; SMN2
SCHEMBL10400976 0.97 SMN1; SMN2 (0.37) TP53NPY1RNPY2RACHESMN1; SMN2
SCHEMBL10400912 0.93 NPY1R (0.35) TP53NPY1RNPY2RACHESMN1; SMN2
SCHEMBL10400134 0.91 NPY1R (0.36) TP53NPY1RNPY2RACHEL3MBTL1
SCHEMBL10400076 0.91 SMN1; SMN2 (0.33) TP53ACHESMN1; SMN2L3MBTL1HSD17B10
SCHEMBL10400075 0.89 SMN1; SMN2 (0.35) NPY1RNPY2RACHESMN1; SMN2L3MBTL1
SCHEMBL10400132 0.88 MAPT (0.41) TP53ACHEHSD17B10LMNAALDH1A1
SCHEMBL9536239 0.85 SMN1; SMN2 (0.35) TP53ACHESMN1; SMN2L3MBTL1HSD17B10
SCHEMBL10401290 0.84 TP53 (0.41) TP53ACHESMN1; SMN2L3MBTL1HSD17B10
SCHEMBL9536988 0.83 SMN1; SMN2 (0.37) TP53ACHESMN1; SMN2L3MBTL1HSD17B10

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-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
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed