SCHEMBL8936693

SCHEMBL8936693

CC(C)(C)Oc1ncc(-c2ccoc2)c(OC(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 8/20 0.33
CYP3A4 P08684 8/20 0.33
CYP2D6 P10635 6/20 0.33
CYP2C19 P33261 6/20 0.33
ALOX15 P16050 4/20 0.33
HSD17B10 Q99714 6/20 0.32
CLK4 Q9HAZ1 5/20 0.32
TSHR P16473 3/20 0.32
USP2 O75604 2/20 0.32
FYN P06241 1/20 0.32
TOP2A P11388 1/20 0.32

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
SCHEMBL10429997 0.79 FYN (0.39) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL482581 0.75 NPSR1 (0.46) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL30701742 0.71 NPSR1 (0.50) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL896548 0.71 NPSR1 (0.63) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL12095301 0.70 KDM4E (0.53) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL7490024 0.69 NPSR1 (0.54) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL3558034 0.68 NPSR1 (0.49) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL3817278 0.68 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL14586465 0.68 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL13049649 0.68 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
EP-0357571-B1 Pyrimidine nucleosides MEDIVIR AB (SE) 1996-04-03 EP disclosed
EP-0691333-A2 Pyrimidine derivatives, process for their preparation and their use as precursors Medivir Aktiebolag (SE) 1996-01-10 EP disclosed
US-5440040-A Drug for Aids therapy; viricides MEDIVIR AB (SE) 1995-08-08 US disclosed
EP-0357571-A2 Pyrimidine nucleosides Medivir Aktiebolag (SE) 1990-03-07 EP disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 WO disclosed