SCHEMBL9323988

SCHEMBL9323988

CCOC(=O)c1nc(-c2ccccc2)cn1S(=O)(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL9523406 0.77 TSHR (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL9958507 0.77 GAA (0.35) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9322583 0.75 CYP19A1 (0.43) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7503514 0.74 TSHR (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7519440 0.74 TSHR (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7503519 0.73 TSHR (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL15033450 0.72 TSHR (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7509246 0.71 TSHR (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL25415694 0.69 GABRA2 (0.43) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9521448 0.69 TSHR (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2262562-A None JP disclosed
EP-0365030-B1 Imidazole compound and process for preparing the same ISHIHARA SANGYO KAISHA (JP) 1994-01-26 EP disclosed
US-5023336-A Fungicides, biocides ISHIHARA SANGYO KAISHA LTD. (JP) 1991-06-11 US disclosed
JP-H02262562-A IMIDAZOLE COMPOUND ISHIHARA SANGYO KAISHA LTD 1990-10-25 JP disclosed
EP-0365030-A1 Imidazole compound and process for preparing the same ISHIHARA SANGYO KAISHA, Ltd. (JP) 1990-04-25 EP disclosed