SCHEMBL8552869

SCHEMBL8552869

Cc1nn(CCN(C)C)c(N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL7352542 0.81 TSHR (0.56) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL8552268 0.80 TSHR (0.55) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL2200208 0.79 TSHR (0.54) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL7302490 0.78 TSHR (0.59) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL8553278 0.77 TSHR (0.52) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL7305763 0.73 TSHR (0.55) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL8552645 0.72 TSHR (0.47) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL1821874 0.71 TSHR (0.47) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL17164741 0.70 GAA (0.49) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20552199 0.70 POLB (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed