SCHEMBL8553278

SCHEMBL8553278

COCCn1nc(C)c(C#N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 6/20 0.42
GAA P10253 5/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 6/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.34
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
MPO P05164 1/20 0.32
BRD4 O60885 1/20 0.32

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) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL8552645 0.81 TSHR (0.47) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL8552268 0.80 TSHR (0.55) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL2200208 0.79 TSHR (0.54) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL7302490 0.78 TSHR (0.59) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL12335144 0.78 MPO (0.39) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL8552869 0.77 TSHR (0.52) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL8553077 0.76 TSHR (0.42) TSHRALDH1A1GAALMNAKDM4E
SCHEMBL7305763 0.73 TSHR (0.55) TSHRALDH1A1GAALMNAHPGD
SCHEMBL21937221 0.72 ALDH1A1 (0.34) ALDH1A1GAALMNAKDM4EHPGD

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