SCHEMBL11280701

SCHEMBL11280701

Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(=NOCC(=O)O)c4csc(=N)n4O)[C@@H]3SC2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.59
▸ POLB P06746 8/20 0.58
▸ MAPT P10636 6/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ GAA P10253 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ PTGS1 P23219 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ TDP1 Q9NUW8 8/20 0.54
▸ LMNA P02545 3/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54
▸ SLC22A11 Q9NSA0 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ HTT P42858 2/20 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
SCHEMBL11285779 0.93 CTDSP1 (0.57) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11274252 0.93 POLB (0.60) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11278235 0.87 NR1I2 (0.66) CTDSP1POLBMAPTALDH1A1L3MBTL1
SCHEMBL10939724 0.86 CTDSP1 (0.62) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL10939732 0.86 CTDSP1 (0.62) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11274742 0.86 POLB (0.58) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11270019 0.86 POLB (0.58) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11278317 0.86 NR1I2 (0.55) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11286578 0.85 NR1I2 (0.60) CTDSP1POLBMAPTALDH1A1GAA
SCHEMBL11280169 0.82 NR1I2 (0.52) POLBMAPTALDH1A1GAAL3MBTL1

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-4358448-A ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1982-11-09 — — US claimed
US-4358448-A ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1982-11-09 — — US disclosed
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