SCHEMBL8043059

SCHEMBL8043059

O=C(Nc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
CASP1 P29466 1/20 0.39
PIK3CB P42338 2/20 0.39
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
EPHB3 P54753 1/20 0.38
JAK2 O60674 4/20 0.35
JAK1 P23458 4/20 0.35
JAK3 P52333 4/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
EGFR P00533 2/20 0.35
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL7950685 0.94 ALDH1A1 (0.43) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL13099804 0.91 ADORA3 (0.40) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL8054923 0.87 RAB9A (0.42) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL7952511 0.87 ALDH1A1 (0.50) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL8049613 0.86 ATM (0.42) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL8037402 0.84 APOBEC3A (0.46) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL8043064 0.84 EGFR (0.41) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL7948913 0.84 LMNA (0.41) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL8049800 0.83 KDM4E (0.42) ALDH1A1CASP1PIK3CBKDM4EL3MBTL1
SCHEMBL7942597 0.83 CCNT1 (0.40) CASP1JAK2JAK1JAK3MEN1

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
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed