SCHEMBL9470368

SCHEMBL9470368

O=C1C(Sc2ccccc2)c2cccnc2N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
LDHA P00338 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
KAT2B Q92831 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL9470503 0.91 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9469385 0.91 GAA (0.39) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9469283 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL4690229 0.89 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL9470115 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL9470466 0.88 KMT2A (0.47) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9470300 0.85 MAPT (0.39) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9469535 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9469636 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9470196 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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 5 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
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
US-5023265-A Antiinflammatory agent; inhibits both 5-lipoxygenase and cyclooxygenase; rheumatoid arthritis, bursitis, tendonitis, gout; side effect reduction SCHERING CORPORATION (US) 1991-06-11 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