SCHEMBL5591504

SCHEMBL5591504

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 3/20 0.48
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5591286 0.92 KDM4E (0.55) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5597896 0.92 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5598203 0.92 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5597985 0.92 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5598106 0.90 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5591558 0.90 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5597932 0.90 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5591506 0.85 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5591509 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ACCNA2CDK2KDM4E
SCHEMBL5597861 0.83 KDM4E (0.55) SMN1; SMN2KMT2ACCNA2CDK2KDM4E

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