SCHEMBL5598520

SCHEMBL5598520

CCCCOC(=O)c1cnn2c(NC(C)C(C)C)c(Cc3cccc(F)c3)c(Cl)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HPGD P15428 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 3/20 0.36
PAX8 Q06710 1/20 0.36
SCD O00767 3/20 0.35
SCD5 Q86SK9 2/20 0.35
CSNK1D P48730 1/20 0.35
GAA P10253 2/20 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
SCHEMBL5598255 0.95 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5598233 0.92 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5597861 0.92 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5598113 0.90 ALDH1A1 (0.62) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5591467 0.87 ALDH1A1 (0.51) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5597917 0.84 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5597501 0.84 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5598019 0.84 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5591286 0.84 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5597896 0.84 SMN1; SMN2 (0.48) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007028434-A1 NOVEL PYRAZOLOPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-15 WO disclosed