SCHEMBL10415751

SCHEMBL10415751

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(C)=O)=C(CSc3cnns3)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ NR1I2 O75469 5/20 0.51
▸ PPARG P37231 2/20 0.51
▸ SLC22A6 Q4U2R8 2/20 0.51
▸ SLC22A8 Q8TCC7 2/20 0.51
▸ SLC22A11 Q9NSA0 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ PTGS1 P23219 2/20 0.49
▸ TDP1 Q9NUW8 5/20 0.48
▸ APEX1 P27695 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ ABCC4 O15439 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11146666 0.92 NR1I2 (0.56) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11146670 0.92 NR1I2 (0.56) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10416383 0.92 NR1I2 (0.56) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10414376 0.87 MAPT (0.65) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10415870 0.85 NR1I2 (0.60) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL9600254 0.85 NR1I2 (0.47) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL9600270 0.85 NR1I2 (0.47) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11041146 0.84 NR1I2 (0.67) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11041144 0.84 NR1I2 (0.67) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10747368 0.83 NR1I2 (0.46) MAPTNR1I2PPARGSLC22A6SLC22A8

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-4914091-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1990-04-03 — — US disclosed
EP-0157000-A2 Ester of cephalosporin derivatives AMERICAN CYANAMID COMPANY (US) 1985-10-09 — — EP disclosed
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