SCHEMBL5268095

SCHEMBL5268095

COc1ccccc1CC(=O)Nc1c[nH]nc1C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TAAR1 Q96RJ0 1/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
UBE2N P61088 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5268434 0.91 TAAR1 (0.64) MAPTTAAR1KDM4EGAAALDH1A1
SCHEMBL5271885 0.87 MAPT (0.55) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL5268206 0.85 HPGD (0.53) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL5269183 0.85 MAPT (0.55) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL5268895 0.81 LMNA (0.56) ALDH1A1KMT2AMEN1LMNA
SCHEMBL5268751 0.81 LMNA (0.53) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5268228 0.81 GAA (0.54) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL5267185 0.80 POLB (0.48) MAPTKDM4EGAAALDH1A1NPC1
SCHEMBL5270571 0.79 KMT2A (0.59) GAAALDH1A1NPC1L3MBTL1KMT2A
SCHEMBL5270246 0.78 NPC1 (0.57) MAPTGAAALDH1A1NPC1RAB9A

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