SCHEMBL8636862

SCHEMBL8636862

N#CC(C#N)=C1c2ccccc2S(=O)(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.56
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CHEK1 O14757 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL14067692 0.86 GPR3 (0.42) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL13193926 0.86 GPR3 (0.44) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL14067782 0.83 GPR3 (0.39) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL26361785 0.82 GPR3 (0.40) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL13679292 0.82 GPR3 (0.40) GPR3MEN1KMT2ACHEK1ALDH1A1
SCHEMBL20365633 0.82 GPR3 (0.40) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL15146693 0.82 GPR3 (0.40) GPR3MEN1KMT2ACHEK1ALDH1A1
SCHEMBL20040137 0.81 GPR3 (0.39) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL21097473 0.81 GPR3 (0.39) GPR3MEN1KMT2ACHEK1ALDH1A1
SCHEMBL22109217 0.80 GPR3 (0.42) GPR3MEN1KMT2ACHEK1L3MBTL1

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
JP-10177256-A None JP disclosed
JP-H10177256-A COMPOSITION FOR FORMING PHOTOCONDUCTIVE LAYER OF COLOR DISPLAY PANEL AND 9-DICYANOMETHYLIDENETHIOXANTHENE 10,10-DIOXIDE DERIVATIVE FOR ELECTRON ACCEPTOR SAMSUNG DISPLAY DEVICES CO LTD 1998-06-30 JP disclosed