SCHEMBL28117777

SCHEMBL28117777

COc1ccc(-c2cnn(O)c2-c2cc(OC)c(OC)c(OC)c2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FYN P06241 2/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ERN1 O75460 1/20 0.40

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
SCHEMBL28627248 0.86 PDE2A (0.50) MAPTL3MBTL1ALDH1A1MAPK1FYN
SCHEMBL28837591 0.86 TUBB4A (0.54) MAPTFYNCHEK2MEN1KMT2A
SCHEMBL28117707 0.83 FYN (0.50) FYNCHEK2
SCHEMBL28117798 0.83 FYN (0.55) MAPTALDH1A1FYNPDGFRBCHEK2
SCHEMBL28118129 0.82 EPHB4 (0.46) MAPTALDH1A1MAPK1FYNPDGFRB
SCHEMBL28118150 0.80 FYN (0.46) FYNCHEK2
SCHEMBL28118147 0.80 FYN (0.58) ALDH1A1FYNCHEK2
SCHEMBL28117789 0.78 ABCB1 (0.50) MAPTALDH1A1MAPK1
SCHEMBL28117665 0.75 ABCB1 (0.45) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL28837693 0.73 MGAM (0.53) MAPTMAPK1FYNMEN1KMT2A

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
CN-106279058-A The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes 沈阳药科大学 2017-01-04 — — CN disclosed
Send feedback