SCHEMBL11278317

SCHEMBL11278317

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(SC)s3)CS[C@@H]12)c1csc(=N)n1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.55
▸ PGR P06401 2/20 0.55
▸ SLC22A6 Q4U2R8 3/20 0.53
▸ SLC22A8 Q8TCC7 3/20 0.53
▸ SLC22A11 Q9NSA0 3/20 0.53
▸ PPARG P37231 2/20 0.53
▸ DAO P14920 1/20 0.53
▸ SNCA P37840 1/20 0.53
▸ CYP2J2 P51589 1/20 0.53
▸ HTR2C P28335 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48

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) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11286578 0.92 NR1I2 (0.60) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11274742 0.86 POLB (0.58) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11270019 0.86 POLB (0.58) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11271387 0.86 NR1I2 (0.74) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11280701 0.86 CTDSP1 (0.59) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL9684902 0.85 NR1I2 (0.76) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11275654 0.83 NR1I2 (0.60) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11273867 0.83 NR1I2 (0.57) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11286574 0.82 MAPT (0.70) NR1I2PGRSLC22A6SLC22A8SLC22A11

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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