SCHEMBL6652471

SCHEMBL6652471

CN1C(=O)CC(=O)NC1=O.Cn1c(=O)cc(Cl)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDF2 Q9Y5A9 1/20 0.40
KMT2A Q03164 11/20 0.39
MEN1 O00255 10/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 8/20 0.36
PABPC1 P11940 1/20 0.36
ALOX12 P18054 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HBB P68871 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL220198 0.80 KMT2A (0.51) YTHDF2KMT2AMEN1LMNAPABPC1
Hydrochloric Acid SCHEMBL30517206 0.79 KMT2A (0.50) YTHDF2KMT2AMEN1LMNAPABPC1
SCHEMBL1263340 0.75 CRBN (0.44) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL11049824 0.73 MAPT (0.42) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL4435670 0.68 MAPT (0.45) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL9008187 0.68 MAPT (0.43) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL28286558 0.66 KMT2A (0.42) YTHDF2KMT2AMEN1LMNAPABPC1
SCHEMBL8428770 0.64 LMNA (0.36) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL11550362 0.61 AHR (0.54) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL29094161 0.60 MAPT (0.33) KMT2AMEN1LMNAMAPTRAB9A

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
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed