SCHEMBL8550649

SCHEMBL8550649

COCCN(C(=O)OC)c1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
OXTR P30559 1/20 0.42
CFTR P13569 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 2/20 0.40
PDE4D Q08499 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KLK6 Q92876 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8553324 0.89 KDM4E (0.43) NTRK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL8551978 0.83 KDM4E (0.44) NTRK1ALDH1A1KDM4ETSHRHPGD
SCHEMBL8556539 0.81 MAPT (0.42) NTRK1ALDH1A1LMNATSHRHTT
SCHEMBL8552117 0.79 KDM4E (0.46) NTRK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL8554342 0.71 NTRK1 (0.51) NTRK1ALDH1A1LMNAKDM4EHPGD
SCHEMBL8553151 0.71 KDM4E (0.43) NTRK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL8553146 0.70 NTRK1 (0.54) NTRK1ALDH1A1LMNAKDM4ETSHR
SCHEMBL8555849 0.69 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL8553385 0.68 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL2546236 0.65 GAA (0.68) ALDH1A1LMNAKDM4ETSHRHPGD

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