SCHEMBL8760291

SCHEMBL8760291

C=CCc1cccc(C#N)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1B1 P15121 1/20 0.33
DRD2 P14416 1/20 0.33
AR P10275 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1914583 0.84 GABRA1 (0.43) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL2162474 0.81 GABRA1 (0.42) GABRA1GABRB2TSHRGAAKDM4E
SCHEMBL22355711 0.80 GABRA1 (0.54) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL31185609 0.80 GABRA1 (0.43) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL8655295 0.80 GABRA1 (0.43) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL2170193 0.80 GABRA1 (0.43) GABRA1GABRB2TSHRGAAMEN1
SCHEMBL8855696 0.79 TSHR (0.46) TSHRNISCHLRRK2ALDH1A1MAPT
SCHEMBL9686700 0.79 GABRA1 (0.42) GABRA1GABRB2TSHRMEN1KMT2A
SCHEMBL11967122 0.77 TSHR (0.45) GABRA1GABRB2TSHRGAANISCH
SCHEMBL21533235 0.77 AKR1B1 (0.37) GABRA1GABRB2TSHRGAANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543238-B1 3-Isoxazolylphenyl-compounds, their preparation and application BASF AG (DE) 1997-06-04 EP disclosed
US-5256666-A Pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0543238-A1 3-Isoxazolylphenyl-compounds, their preparation and application BASF Aktiengesellschaft (DE) 1993-05-26 EP disclosed