SCHEMBL5266468

SCHEMBL5266468

O=C(Cc1c[nH]c2ccccc12)Nc1c[nH]nc1C(=O)NCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.58
CTDSP1 Q9GZU7 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
STAT3 P40763 1/20 0.45
RAB9A P51151 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
CCKBR P32239 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5268751 0.86 LMNA (0.53) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5268206 0.82 HPGD (0.53) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5268260 0.81 MAPT (0.51) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5272692 0.81 SIRT1 (0.54) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2930131 0.81 MAPT (0.55) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5272614 0.80 CYP1A2 (0.53) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5267455 0.79 SMN1; SMN2 (0.63) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL5269122 0.79 ALDH1A1 (0.54) POLBCTDSP1ALDH1A1MAPTKMT2A
SCHEMBL5265275 0.79 ALDH1A1 (0.54) POLBALDH1A1MAPTLMNATP53
SCHEMBL5266740 0.78 TDP1 (0.49) POLBALDH1A1MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed