SCHEMBL28428236

SCHEMBL28428236

COc1ccc(Cn2nc(OC)c3cc(C(=O)NN)cnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL28425625 0.89 PDE1B (0.48) PDE1BALDH1A1CA1CA2ALOX15
SCHEMBL28431943 0.88 PDE1B (0.49) PDE1BALDH1A1MAPTL3MBTL1NPC1
SCHEMBL1592875 0.81 NR3C1 (0.45) ALDH1A1MAPTALOX15KDM4ENPC1
SCHEMBL24566406 0.81 CNR1 (0.50) PDE1BALDH1A1MAPTALOX15LMNA
SCHEMBL1593023 0.81 CNR1 (0.47) PDE1BALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1592906 0.78 PDE1B (0.55) PDE1BALDH1A1MAPTALOX15LMNA
SCHEMBL28431878 0.78 CNR1 (0.47) PDE1BALDH1A1MAPTALOX15LMNA
SCHEMBL1593855 0.77 PTGDR2 (0.44) PDE1BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1594020 0.76 CNR1 (0.46) PDE1BALDH1A1MAPTALOX15L3MBTL1
SCHEMBL28432732 0.75 PDE5A (0.38) PDE1BALDH1A1MAPTL3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393433-B Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2021-07-30 — — CN disclosed
CN-111393433-A Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2020-07-10 — — CN disclosed
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