SCHEMBL9470320

SCHEMBL9470320

CC(=O)OCCSC1C(=O)N(c2ccccc2)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.34
MT-CO2 P00403 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
SRC P12931 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL9469702 0.83 POLB (0.48) MT-CO2ALOX5ALDH1A1LMNAPOLB
SCHEMBL9470368 0.73 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL9470242 0.71 EGLN1 (0.36) SLC18A3MT-CO2ALOX5ALDH1A1MAPT
SCHEMBL9470596 0.70 TP53 (0.40) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL9470115 0.70 ALDH1A1 (0.45) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL9470178 0.70 MAOA (0.41) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL9470196 0.68 ALDH1A1 (0.39) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL9470503 0.68 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL28759170 0.67 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL9470466 0.66 KMT2A (0.47) ALDH1A1LMNAMAPTKDM4EMEN1

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 6 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
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