SCHEMBL7960697

SCHEMBL7960697

CCCOc1cc(C)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
HTR2B P41595 2/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45

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
SCHEMBL8980675 0.87 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL12180298 0.87 MAPT (0.51) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL12934909 0.87 MKNK1 (0.55) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL6835721 0.85 KMT2A (0.53) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL23267707 0.85 SMN1; SMN2 (0.56) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL7992973 0.85 TSHR (0.51) MEN1KMT2AHTR2BALDH1A1TSHR
SCHEMBL7307065 0.84 TSHR (0.46) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL7951260 0.83 PARP15 (0.51) MAPTMEN1KMT2ALMNAHTR2B
SCHEMBL22435071 0.83 TSHR (0.49) MAPTMEN1KMT2ALMNAHTR2B
Hydrochloric Acid SCHEMBL7960837 0.83 MAPT (0.43) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0352960-B1 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE FRENCH LAB (GB) 1994-10-26 EP disclosed
US-5073559-A 2-Substituted purinone having phosphodiesterase inhibitory activity SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-17 US disclosed
EP-0352960-A2 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed