SCHEMBL20344700

SCHEMBL20344700

CC(C)NC(=O)c1cccn(C(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
LMNA P02545 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALOX5 P09917 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
MLYCD O95822 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL18596389 0.81 MAPT (0.47) METMAOAMAOBALDH1A1KDM4E
SCHEMBL22210774 0.80 ALDH1A1 (0.47) METLMNAALDH1A1KDM4EBRD4
SCHEMBL12848314 0.80 ALDH1A1 (0.43) LMNAMAOAMAOBALDH1A1PKM
SCHEMBL11633601 0.77 ALDH1A1 (0.46) METALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22210780 0.74 NPC1 (0.58) METLMNAALDH1A1KDM4EMEN1
SCHEMBL12376651 0.71 BRD4 (0.73) LMNAALDH1A1KDM4EHTTL3MBTL1
SCHEMBL9004445 0.71 MET (0.53) METMEN1KMT2A
SCHEMBL23940153 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL550463 0.70 ALDH1A1 (0.56) LMNAALDH1A1PKMKDM4EHTT
SCHEMBL13145677 0.69 LMNA (0.48) LMNAMAOAMAOBALDH1A1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239147-B1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2019-08-28 EP disclosed
EP-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 EP disclosed