SCHEMBL5598029

SCHEMBL5598029

CCOC(=O)c1cnn2c(O)c(Cc3cccc(Cl)c3)c(O)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 8/20 0.49
HPGD P15428 8/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 6/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL15261996 0.92 ALDH1A1 (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL5598086 0.88 KDM4E (0.61) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL5591509 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL15262169 0.81 KDM4E (0.48) SMN1; SMN2KDM4EALDH1A1HPGDCCNA2
SCHEMBL15261476 0.81 KDM4E (0.60) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL902729 0.80 ALDH1A1 (0.55) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL14033028 0.79 ALDH1A1 (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL5597896 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL5591506 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL5597985 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD

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