SCHEMBL9529116

SCHEMBL9529116

CCOC(=NC#N)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NPC1 O15118 2/20 0.39
ELANE P08246 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 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
SCHEMBL6444890 0.81 POLB (0.47) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL6444893 0.81 POLB (0.47) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL9531037 0.73 L3MBTL1 (0.43) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL9531042 0.73 L3MBTL1 (0.43) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL9531671 0.73 KDM4E (0.43) LMNAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL5500889 0.73 LMNA (0.54) LMNAMAPTSMN1; SMN2POLBTDP1
SCHEMBL9530274 0.72 NPSR1 (0.42) MAPTSMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL641903 0.71 POLB (0.62) LMNASMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL31237097 0.71 POLB (0.62) LMNASMN1; SMN2POLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL1811818 0.71 LMNA (0.52) LMNAMAPTSMN1; SMN2POLBTDP1

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-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed