SCHEMBL8575723

SCHEMBL8575723

CCOC(=O)c1c(CN(CC)CC)nc2sc(C(C)C)c(C)c2c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CACNB4 O00305 2/20 0.41
▸ CACNA1A O00555 2/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNG3 O60359 2/20 0.41
▸ CACNA1F O60840 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ CACNB3 P54284 2/20 0.41
▸ CACNA2D1 P54289 2/20 0.41
▸ CACNG7 P62955 2/20 0.41
▸ CACNA1B Q00975 2/20 0.41
▸ CACNA1D Q01668 2/20 0.41
▸ CACNB1 Q02641 2/20 0.41
▸ CACNG1 Q06432 2/20 0.41
▸ CACNB2 Q08289 2/20 0.41

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
SCHEMBL7494813 0.89 MAPT (0.44) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL7495290 0.85 CYP2C9 (0.41) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL7485972 0.79 MAPT (0.53) CYP2C9MAPTKMT2AMEN1CACNB4
SCHEMBL7685688 0.78 ADORA1 (0.46) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL7488242 0.77 MAPT (0.53) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL7485921 0.74 SLC10A2 (0.48) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL7490064 0.74 POLB (0.44) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL8131902 0.74 FABP3 (0.53) MAPTKMT2AMEN1SMN1; SMN2XBP1
SCHEMBL7484252 0.74 MAPT (0.49) CYP2C9RECQLMAPTKMT2AMEN1
SCHEMBL8806198 0.73 ALDH1A1 (0.44) CYP2C9RECQLMAPTKMT2AMEN1

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
US-5747486-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES (JP) 1998-05-05 — — US disclosed
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