SCHEMBL9258450

SCHEMBL9258450

O=S(=O)(CCCCOc1ccc2nc(O)ccc2c1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
P2RY12 Q9H244 4/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL8883490 0.77 NFE2L2 (0.44) PDE3BPDE3AP2RY12KEAP1NFE2L2
SCHEMBL9002571 0.77 PDE3B (0.48) PDE3BPDE3AP2RY12KEAP1NFE2L2
SCHEMBL8883481 0.76 KEAP1 (0.44) PDE3BPDE3AP2RY12KEAP1NFE2L2
SCHEMBL5958925 0.72 NCF1 (0.51) NPC1MAPTRAB9ANCF1CYSLTR1
SCHEMBL11598868 0.71 NFE2L2 (0.56) KEAP1NFE2L2HTTNPC1RAB9A
SCHEMBL11272215 0.70 MAOB (0.59) PDE3BPDE3ATSHR
SCHEMBL8630145 0.69 KEAP1 (0.60) KEAP1NFE2L2HTTNPC1RAB9A
SCHEMBL9187143 0.69 MAOB (0.42) MAPTMCL1
SCHEMBL9190037 0.69 MCL1 (0.43) KEAP1NFE2L2HTTNPC1MAPT
SCHEMBL10834659 0.69 MAOB (0.46) PDE3BPDE3AP2RY12KEAP1NFE2L2

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
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed