SCHEMBL5598233

SCHEMBL5598233

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 6/20 0.55
HPGD P15428 6/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CSNK1D P48730 1/20 0.42
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL5597861 1.00 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5598255 0.94 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5598113 0.93 ALDH1A1 (0.62) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5598520 0.92 KDM4E (0.50) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5597501 0.92 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5597917 0.92 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5598019 0.92 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5591286 0.92 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5597896 0.92 SMN1; SMN2 (0.48) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5597985 0.92 SMN1; SMN2 (0.48) KDM4EHSD17B10HPGDALDH1A1SMN1; 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