SCHEMBL3390993

SCHEMBL3390993

CCOC(=O)c1n[nH]c(C(C)(C)C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.44
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL24235249 0.81 KDM4E (0.46) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL14190553 0.80 PDE4D (0.56) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL3389520 0.79 KDM4E (0.43) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL24229932 0.78 PDE4D (0.53) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL11093184 0.73 ALDH1A1 (0.50) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL24906337 0.73 KDM4E (0.47) KDM4EPOLBPDE4DALDH1A1KMT2A
SCHEMBL28892546 0.72 PDE4D (0.54) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL8354129 0.72 KDM4E (0.49) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL28577499 0.71 KDM4E (0.48) KDM4EPOLBPDE4DALDH1A1HPGD
SCHEMBL3463424 0.71 KDM4E (0.44) KDM4EPOLBPDE4DALDH1A1KMT2A

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-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed