SCHEMBL14227922

SCHEMBL14227922

O=C(O)Cc1csc(NC(=O)c2ccc(I)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ PDE5A O76074 2/20 0.61
▸ SCD O00767 9/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PDE1A P54750 1/20 0.51
▸ PDE1B Q01064 1/20 0.51
▸ PDE1C Q14123 1/20 0.51

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
SCHEMBL27599948 0.87 KDM4E (0.78) KDM4EPDE5ASCDALDH1A1SMN1; SMN2
SCHEMBL3544268 0.86 SCD (0.65) KDM4EPDE5ASCDALDH1A1ADORA3
SCHEMBL8696917 0.86 KDM4E (0.77) KDM4EPDE5ASCDALDH1A1MEN1
SCHEMBL5717720 0.86 MEN1 (0.70) KDM4EPDE5ASCDALDH1A1MEN1
SCHEMBL14177135 0.81 F2 (0.68) KDM4EPDE5ASCDALDH1A1ADORA3
SCHEMBL4637561 0.77 SCD (0.60) KDM4EPDE5ASCDALDH1A1MAPT
SCHEMBL5717593 0.77 GAA (0.67) KDM4EPDE5ASCDALDH1A1ADORA3
SCHEMBL5717620 0.77 KDM4E (0.74) KDM4EPDE5ASCDADORA3SMN1; SMN2
SCHEMBL3621458 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11359245 0.75 GABRA5 (0.57) KDM4EPDE5ASCDALDH1A1MEN1

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-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 — — US disclosed
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