SCHEMBL7951260

SCHEMBL7951260

CCCOc1cc(OC)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.51
PARP10 Q53GL7 3/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
RAD52 P43351 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6835721 0.90 KMT2A (0.53) PARP15PARP10MAPTLMNAMEN1
SCHEMBL7950657 0.89 MTNR1A (0.51) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL4687671 0.89 PARP15 (0.60) PARP15PARP10MAPTLMNAMEN1
SCHEMBL13592322 0.87 KDM4E (0.55) PARP15PARP10MAPTLMNAALDH1A1
SCHEMBL7290141 0.86 KDM4E (0.51) LMNAHTR2BKMT2AMTNR1AMTNR1B
SCHEMBL7288692 0.84 PLA2G2A (0.54) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL11353074 0.84 MTNR1A (0.49) MAPTLMNAMEN1CYP3A4KMT2A
SCHEMBL1034025 0.83 ALDH1A1 (0.68) PARP15PARP10MAPTLMNAKMT2A
SCHEMBL29624500 0.83 ALDH1A1 (0.68) PARP15PARP10MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL7960433 0.83 ALDH1A1 (0.47) MAPTLMNAMEN1CYP3A4KMT2A

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