SCHEMBL4028099

SCHEMBL4028099

CCc1ncc(C(=O)C=CN(C)C)n1C(C)(C)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 4/20 0.38
ALOX15 P16050 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 3/20 0.33
RECQL P46063 2/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL4026109 0.91 MAPT (0.40) MAPTALDH1A1HPGDLMNAALOX15
SCHEMBL5109466 0.89 MAPT (0.37) MAPTALDH1A1HPGDLMNARAB9A
SCHEMBL5109472 0.89 MAPT (0.37) MAPTALDH1A1HPGDLMNARAB9A
SCHEMBL4022141 0.84 MAPT (0.40) MAPTALDH1A1HPGDLMNARAB9A
SCHEMBL4021051 0.79 ALOX15 (0.44) ALDH1A1LMNAALOX15NPSR1
SCHEMBL6594999 0.78 ALDH1A1 (0.46) MAPTALDH1A1HPGDLMNAALOX15
SCHEMBL6594995 0.78 ALDH1A1 (0.46) MAPTALDH1A1HPGDLMNAALOX15
SCHEMBL3557099 0.76 MAPT (0.38) MAPTALDH1A1HPGDLMNARAB9A
SCHEMBL3557097 0.76 MAPT (0.38) MAPTALDH1A1HPGDLMNARAB9A
SCHEMBL5335807 0.72 MAPT (0.36) MAPTALDH1A1HPGDLMNARAB9A

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed