SCHEMBL10429997

SCHEMBL10429997

CC(C)(C)Oc1ncc(-c2ccoc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
GAA P10253 1/20 0.38
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8936693 0.79 NPSR1 (0.56) FYNGAANPSR1ATMMEN1
SCHEMBL17225264 0.74 FYN (0.41) FYNLPLLIPGMEN1KMT2A
SCHEMBL29836817 0.70 FYN (0.44) FYNMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7191487 0.67 LPL (0.46) LPLLIPGALDH1A1CYP1A2CYP3A4
SCHEMBL14438064 0.67 HPGDS (0.42) FYNLPLLIPGMEN1KMT2A
SCHEMBL21789413 0.66 GAA (0.48) GAANPSR1ATMMEN1KMT2A
SCHEMBL3822740 0.66 GAA (0.48) GAANPSR1ATMMEN1KMT2A
SCHEMBL17225266 0.66 FYN (0.38) FYNLPLLIPGMEN1KMT2A
SCHEMBL21965726 0.65 CYP1A1 (0.33) CYP1A2
SCHEMBL25097619 0.65 GAA (0.47) GAANPSR1ATMMEN1KMT2A

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-0357571-A2 Pyrimidine nucleosides Medivir Aktiebolag (SE) 1990-03-07 EP disclosed