SCHEMBL10528959

SCHEMBL10528959

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PGR P06401 2/20 0.56
▸ PPARG P37231 2/20 0.55
▸ SLC22A6 Q4U2R8 2/20 0.55
▸ SLC22A8 Q8TCC7 2/20 0.55
▸ SLC22A11 Q9NSA0 2/20 0.55
▸ DAO P14920 1/20 0.55
▸ SNCA P37840 1/20 0.55
▸ CYP2J2 P51589 1/20 0.55
▸ ABCC4 O15439 2/20 0.54
▸ MAPT P10636 5/20 0.53
▸ ALB P02768 1/20 0.53
▸ TDP1 Q9NUW8 5/20 0.49
▸ APEX1 P27695 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ RECQL P46063 2/20 0.49

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
Bromide SCHEMBL10696509 0.92 KMT2A (0.54) NR1I2HTR2CKMT2APGRPPARG
Iodide SCHEMBL10695810 0.92 KMT2A (0.56) NR1I2HTR2CKMT2APGRPPARG
Iodide SCHEMBL10695908 0.91 KMT2A (0.55) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL10529742 0.91 NR1I2 (0.53) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL10529069 0.91 NR1I2 (0.53) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL10529692 0.90 KMT2A (0.47) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL10695823 0.89 TDP1 (0.53) NR1I2KMT2APGRPPARGSLC22A6
SCHEMBL10529888 0.88 NR1I2 (0.43) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL8747445 0.88 NR1I2 (0.57) NR1I2HTR2CKMT2APGRPPARG
SCHEMBL10529854 0.87 NR1I2 (0.74) NR1I2HTR2CKMT2APGRPPARG

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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