SCHEMBL2910158

SCHEMBL2910158

Cc1cc(NS(C)(=O)=O)ccc1OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.45
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP17A1 P05093 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 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
SCHEMBL11347398 0.82 ALDH1A1 (0.43) BRD4SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1530140 0.80 SLC6A2 (0.41) BRD4SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL23547262 0.79 CYP17A1 (0.56) SLC6A4SLC6A2SLC6A3KCNH2HPGD
SCHEMBL8864731 0.73 HPGD (0.51) SLC6A4SLC6A2SLC6A3KCNH2HPGD
SCHEMBL473085 0.73 L3MBTL1 (0.50) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL29669768 0.73 L3MBTL1 (0.50) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL27808004 0.73 MAPK1 (0.55) BRD4SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL12678751 0.73 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2HPGD
SCHEMBL11233535 0.73 PTGS1 (0.55) POLBHPGDCYP17A1SMN1; SMN2ALDH1A1
SCHEMBL5324234 0.72 KDM4E (0.59) POLBHPGDRECQLSMN1; SMN2ALDH1A1

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
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 — — EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 — — WO disclosed
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