SCHEMBL7478096

SCHEMBL7478096

Cc1cc2nc(CN(C(=O)O)C(C)(C)C)[nH]c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
HSD17B10 Q99714 1/20 0.42
F10 P00742 1/20 0.41
CACNA1G O43497 1/20 0.40
FABP6 P51161 1/20 0.40
F9 P00740 3/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.39
PRKAG1 P54619 1/20 0.38

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
SCHEMBL23522705 0.85 PRKAG1 (0.56) F10CACNA1GEGLN1PDE10ALMNA
SCHEMBL4244757 0.79 TDP1 (0.39) MEN1MAPTKMT2ATDP1HSD17B10
SCHEMBL3011310 0.76 KMT2A (0.66) MEN1MAPTKMT2AATMTDP1
SCHEMBL16186535 0.75 CACNA1G (0.56) MEN1MAPTKMT2AATMTDP1
Hydrochloric Acid SCHEMBL30103090 0.75 HDAC3 (0.44) MAPTTDP1PSMD14MMP2EGLN1
SCHEMBL31735460 0.75 MEN1 (0.60) MEN1MAPTKMT2AATMTDP1
SCHEMBL5897142 0.73 KMT2A (0.57) MEN1MAPTKMT2AATMTDP1
SCHEMBL10885693 0.72 MEN1 (0.60) MEN1MAPTKMT2AATMTDP1
SCHEMBL1507294 0.72 ALDH1A1 (0.35) MEN1MAPTKMT2ATDP1LMNA
SCHEMBL11222676 0.71 KMT2A (0.68) MEN1MAPTKMT2AATMTDP1

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-1171435-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000061551-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed