SCHEMBL8553095

SCHEMBL8553095

Cc1nn(-c2ccccc2)c(N(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FPR1 P21462 5/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
STS P08842 1/20 0.37

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
SCHEMBL8555334 0.89 MAPT (0.46) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL8553385 0.85 ALDH1A1 (0.42) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL8555849 0.84 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL8556539 0.83 MAPT (0.42) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL1984012 0.79 NTRK1 (0.48) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL8554394 0.79 ALDH1A1 (0.39) ALDH1A1MAPTPOLBHTTL3MBTL1
SCHEMBL8552117 0.78 KDM4E (0.46) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL8552075 0.74 FPR1 (0.41) ALDH1A1MAPTLMNAFLT1FLT4
SCHEMBL8556278 0.74 NTRK1 (0.43) ALDH1A1MAPTPOLBHTTL3MBTL1
SCHEMBL8552895 0.74 FPR1 (0.48) ALDH1A1MAPTPOLBHTTLMNA

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