SCHEMBL11280169

SCHEMBL11280169

N=c1scc(C(=NOCC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4cc(N)c5nnnn5n4)CS[C@@H]23)n1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.52
▸ PGR P06401 3/20 0.52
▸ TDP1 Q9NUW8 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ PPARG P37231 3/20 0.44
▸ SLC22A6 Q4U2R8 3/20 0.44
▸ SLC22A8 Q8TCC7 3/20 0.44
▸ SLC22A11 Q9NSA0 3/20 0.44
▸ DAO P14920 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ CYP2J2 P51589 1/20 0.44

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
SCHEMBL11277487 0.93 NR1I2 (0.53) NR1I2PGRTDP1LMNAAPAF1
SCHEMBL11274639 0.93 NR1I2 (0.59) NR1I2PGRTDP1LMNAL3MBTL1
SCHEMBL11281007 0.89 NR1I2 (0.66) NR1I2PGRTDP1LMNAAPAF1
SCHEMBL11268511 0.88 NR1I2 (0.59) NR1I2PGRTDP1LMNAL3MBTL1
SCHEMBL11268025 0.87 NR1I2 (0.58) NR1I2PGRTDP1LMNAL3MBTL1
SCHEMBL11272069 0.87 NR1I2 (0.56) NR1I2PGRTDP1TSHRAPEX1
SCHEMBL11268186 0.86 NR1I2 (0.54) NR1I2PGRTDP1LMNAL3MBTL1
SCHEMBL11265997 0.86 NR1I2 (0.56) NR1I2PGRTDP1LMNATSHR
SCHEMBL11278235 0.86 NR1I2 (0.66) NR1I2PGRTDP1LMNAAPAF1
SCHEMBL11287238 0.85 NR1I2 (0.65) NR1I2PGRTDP1LMNAAPAF1

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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