SCHEMBL28015702

SCHEMBL28015702

CCCC=Cc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
TLR8 Q9NR97 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PPP1R15A O75807 1/20 0.38
MELK Q14680 1/20 0.38
PPP1R15B Q5SWA1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PNMT P11086 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MEN1 O00255 2/20 0.33

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
SCHEMBL28015713 0.89 PDE5A (0.38) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20604275 0.85 TLR8 (0.45) TLR8LMNASMN1; SMN2ALDH1A1HDAC1
SCHEMBL20604271 0.85 TLR8 (0.45) TLR8LMNASMN1; SMN2ALDH1A1HDAC1
SCHEMBL5543074 0.81 PTGS2 (0.40) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5543072 0.81 PTGS2 (0.40) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8379850 0.81 LMNA (0.41) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5541843 0.79 PTGS2 (0.38) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5541838 0.79 PTGS2 (0.38) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8206128 0.78 TLR8 (0.51) TLR8LMNAMEN1KMT2ATYMP
SCHEMBL5542399 0.77 PTGS2 (0.38) PTGS2LMNASMN1; SMN2ALDH1A1L3MBTL1

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed