SCHEMBL11274742

SCHEMBL11274742

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@@H]12)c1csc(=N)n1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.58
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.57
▸ NR1I2 O75469 3/20 0.57
▸ PGR P06401 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TDP1 Q9NUW8 5/20 0.55
▸ SLC22A6 Q4U2R8 2/20 0.55
▸ SLC22A8 Q8TCC7 2/20 0.55
▸ SLC22A11 Q9NSA0 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL11274252 0.93 POLB (0.60) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL11270019 0.92 POLB (0.58) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL11285633 0.87 NR1I2 (0.75) POLBMAPTALDH1A1CTDSP1NR1I2
SCHEMBL11286578 0.87 NR1I2 (0.60) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL11278317 0.86 NR1I2 (0.55) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL11280701 0.86 CTDSP1 (0.59) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL11285779 0.86 CTDSP1 (0.57) POLBMAPTALDH1A1GAACTDSP1
SCHEMBL9659559 0.85 NR1I2 (0.76) POLBMAPTALDH1A1GAANR1I2
SCHEMBL11157941 0.85 NR1I2 (0.76) POLBMAPTALDH1A1GAANR1I2
SCHEMBL10627715 0.85 NR1I2 (0.76) POLBMAPTALDH1A1GAANR1I2

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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