SCHEMBL8552645

SCHEMBL8552645

Cc1nn(CCOS(C)(=O)=O)c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
GAA P10253 1/20 0.30
NR1I2 O75469 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL8553278 0.81 TSHR (0.52) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL7352542 0.76 TSHR (0.56) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18740215 0.75 MAPK1 (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8552268 0.74 TSHR (0.55) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL2200208 0.73 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8553077 0.73 TSHR (0.42) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1229958 0.72 PKM (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18740310 0.72 MAPK1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7302490 0.72 TSHR (0.59) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8552869 0.72 TSHR (0.52) TSHRALDH1A1LMNAMEN1KMT2A

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