SCHEMBL7347313

SCHEMBL7347313

CCCOc1ccccc1C(=O)Nc1c(C(N)=O)c(C)nn1CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.45
BRD4 O60885 1/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HIF1A Q16665 1/20 0.43
PNLIP P16233 1/20 0.41
PDE5A O76074 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL6197356 0.84 SGMS2 (0.42) NR3C1BRD4TP53SMN1; SMN2MAPT
SCHEMBL7353383 0.74 LMNA (0.49) TP53MAPTMEN1KMT2ALMNA
SCHEMBL3029893 0.73 MAPT (0.50) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL7163100 0.73 MAPT (0.58) BRD4MAPTMEN1KMT2ALMNA
SCHEMBL7003270 0.73 TERT (0.48) NR3C1BRD4TP53SMN1; SMN2MAPT
SCHEMBL6197039 0.73 KMT2A (0.53) SMN1; SMN2MEN1KMT2ALMNAPDE5A
SCHEMBL1669 0.71 TERT (0.64) NR3C1BRD4TP53SMN1; SMN2MAPT
SCHEMBL7167278 0.71 MAPT (0.53) BRD4MAPTMEN1KMT2ALMNA
SCHEMBL7718074 0.71 BRD4 (0.55) BRD4TP53MAPTMEN1KMT2A
SCHEMBL7721826 0.70 PTPN1 (0.58) BRD4MAPTMEN1KMT2ALMNA

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 2 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
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO disclosed