SCHEMBL9470503

SCHEMBL9470503

O=C1C(Sc2ccc(Cl)cc2)c2cccnc2N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SMO Q99835 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL9469385 0.95 GAA (0.39) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL9470368 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL9469283 0.88 ALDH1A1 (0.39) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL4690229 0.88 ALDH1A1 (0.34) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL9470115 0.85 ALDH1A1 (0.45) ALDH1A1MAPTHPGDGAAL3MBTL1
SCHEMBL9470196 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDGAAL3MBTL1
SCHEMBL9470300 0.82 MAPT (0.39) ALDH1A1MAPTGAALMNAMEN1
SCHEMBL9470466 0.82 KMT2A (0.47) ALDH1A1MAPTHPGDGAAL3MBTL1
SCHEMBL9469636 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDGAAL3MBTL1
SCHEMBL9469535 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAKDM4E

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