SCHEMBL10529692

SCHEMBL10529692

CC(CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cc[n+]([O-])cc3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)O[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ NR1I2 O75469 5/20 0.46
▸ PGR P06401 3/20 0.46
▸ PPARG P37231 3/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ SLC22A8 Q8TCC7 2/20 0.46
▸ SLC22A11 Q9NSA0 2/20 0.46
▸ DAO P14920 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ TDP1 Q9NUW8 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ APEX1 P27695 2/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL10528959 0.90 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10529904 0.89 KMT2A (0.36) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10696502 0.83 KMT2A (0.49) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10959262 0.83 KMT2A (0.49) KMT2ANR1I2PGRPPARGSLC22A6
Bromide SCHEMBL10955317 0.83 KMT2A (0.47) KMT2ANR1I2PGRPPARGSLC22A6
Bromide SCHEMBL10695912 0.83 KMT2A (0.49) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10531194 0.82 NR1I2 (0.62) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10695810 0.82 KMT2A (0.56) KMT2ANR1I2PGRPPARGSLC22A6
Bromide SCHEMBL10696509 0.82 KMT2A (0.54) KMT2ANR1I2PGRPPARGSLC22A6
Iodide SCHEMBL10695908 0.82 KMT2A (0.55) KMT2ANR1I2PGRPPARGSLC22A6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336705-A2 Cephem compounds and a production method therefor AJINOMOTO CO., INC. (JP) 1989-10-11 — — EP disclosed
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