SCHEMBL9469702

SCHEMBL9469702

O=C1C(SCCO)c2cccnc2N1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 3/20 0.32
MAPK1 P28482 2/20 0.32
SRC P12931 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FEN1 P39748 1/20 0.30
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL9470320 0.83 SLC18A3 (0.34) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9469697 0.80 ALDH1A1 (0.32) POLBALDH1A1LMNA
SCHEMBL9470368 0.79 ALDH1A1 (0.43) POLBALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL9470503 0.74 ALDH1A1 (0.40) POLBALDH1A1L3MBTL1LMNAMEN1
SCHEMBL9469636 0.74 ALDH1A1 (0.39) ALDH1A1NPSR1L3MBTL1LMNAMEN1
SCHEMBL9470196 0.74 ALDH1A1 (0.39) ALDH1A1NPSR1L3MBTL1LMNAMEN1
SCHEMBL28759170 0.73 ALDH1A1 (0.40) POLBALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL9470178 0.73 MAOA (0.41) POLBALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL9469385 0.72 GAA (0.39) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9470596 0.71 TP53 (0.40) ALDH1A1L3MBTL1LMNAMEN1KMT2A

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-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US claimed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP claimed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO claimed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP claimed
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP disclosed