SCHEMBL8541050

SCHEMBL8541050

O=S(=O)(Nc1ccc2nsnc2c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.57
▸ PIK3CA P42336 1/20 0.57
▸ PIK3CB P42338 1/20 0.57
▸ PIK3CG P48736 1/20 0.57
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ PTPN1 P18031 4/20 0.54
▸ PTPN2 P17706 3/20 0.54
▸ PTPN5 P54829 3/20 0.54
▸ HSPD1 P10809 2/20 0.54
▸ HSPE1 P61604 2/20 0.54
▸ EDNRA P25101 1/20 0.53
▸ KEAP1 Q14145 2/20 0.53

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
SCHEMBL8317574 0.92 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6760774 0.85 CDC7 (0.64) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6764847 0.85 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8313917 0.84 POLB (0.58) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6762244 0.81 TXNRD1 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL8315991 0.81 PTPN1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8315471 0.81 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6320114 0.80 EDNRA (0.56) LMNAKMT2AMAPTTSHRALDH1A1
SCHEMBL8313260 0.80 L3MBTL1 (0.64) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL9613356 0.76 PTPN1 (0.60) LMNASMN1; SMN2MEN1KMT2APKM

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
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US disclosed
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