SCHEMBL8553324

SCHEMBL8553324

COC(=O)N(CCN(C)C)c1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTRK1 P04629 1/20 0.40
PDE4D Q08499 1/20 0.40
KLK6 Q92876 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
NR3C1 P04150 1/20 0.38
NPSR1 Q6W5P4 2/20 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
SCHEMBL8550649 0.89 NTRK1 (0.46) KDM4ETSHRHPGDALDH1A1LMNA
SCHEMBL8551978 0.83 KDM4E (0.44) KDM4ETSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL8552117 0.79 KDM4E (0.46) KDM4ETSHRHPGDALDH1A1LMNA
SCHEMBL8555849 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL8556539 0.72 MAPT (0.42) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8553151 0.71 KDM4E (0.43) KDM4ETSHRHPGDALDH1A1LMNA
SCHEMBL8555685 0.71 KDM4E (0.46) KDM4ETSHRALDH1A1LMNAHTT
SCHEMBL8553146 0.70 NTRK1 (0.54) KDM4ETSHRHPGDALDH1A1LMNA
SCHEMBL8553385 0.68 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2RAB9A
SCHEMBL8555334 0.67 MAPT (0.46) KDM4EALDH1A1LMNAHTTL3MBTL1

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