SCHEMBL9263308

SCHEMBL9263308

O=CSc1ccccc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ADRA1A P35348 3/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1B P35368 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADRA2A P08913 1/20 0.36
FBP1 P09467 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5537083 0.81 PDPK1 (0.52) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL5014843 0.78 PDPK1 (0.48) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL5692672 0.76 PDPK1 (0.64) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL10459362 0.75 PDPK1 (0.53) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL610449 0.75 PDPK1 (0.48) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL1951149 0.74 PDPK1 (0.61) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL10448407 0.74 PDPK1 (0.44) PDPK1RAB9AADORA2AADORA1ADRA1A
Hydrochloric Acid SCHEMBL19894001 0.73 PDPK1 (0.47) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL2084670 0.70 PDPK1 (0.43) PDPK1RAB9AADORA2AADORA1ADRA1A
SCHEMBL8567274 0.70 PDPK1 (0.55) PDPK1RAB9AADORA2AADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442047-A Process for preparing isepamicin SCHERING CORPORATION (US) 1995-08-15 US claimed
EP-0405820-B1 Improved process for preparing isepamicin SCHERING CORP (US) 1994-04-13 EP claimed
EP-0478707-A1 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1992-04-08 EP claimed
EP-0405820-A2 Improved process for preparing isepamicin SCHERING CORPORATION (US) 1991-01-02 EP claimed
WO-1990015810-A2 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1990-12-27 WO claimed
EP-0478707-A1 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1992-04-08 EP disclosed
EP-0405820-A2 Improved process for preparing isepamicin SCHERING CORPORATION (US) 1991-01-02 EP disclosed
WO-1990015810-A2 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1990-12-27 WO disclosed