SCHEMBL9538973

SCHEMBL9538973

NC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCCC2)c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK14 Q16539 2/20 0.36
TP53 P04637 3/20 0.36
ACHE P22303 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKD3 O94806 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
BCHE P06276 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 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
SCHEMBL9536789 0.98 TP53 (0.37) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10400778 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10517367 0.90 TP53 (0.39) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10401290 0.88 TP53 (0.41) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10400901 0.87 MAPK14 (0.39) SMN1; SMN2HSD17B10MAPK14TP53PRKD3
SCHEMBL10400225 0.86 PRKD3 (0.39) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10400078 0.86 HSD17B10 (0.39) SMN1; SMN2HSD17B10TP53ACHEL3MBTL1
SCHEMBL10400075 0.84 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10MAPK14ACHEL3MBTL1
SCHEMBL10400944 0.84 TSHR (0.37) SMN1; SMN2HSD17B10MAPK14TP53ACHE
SCHEMBL10401010 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10TP53L3MBTL1MAPT

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