SCHEMBL11216841

SCHEMBL11216841

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cnsc3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.74
▸ PGR P06401 3/20 0.74
▸ PPARG P37231 2/20 0.74
▸ SLC22A6 Q4U2R8 2/20 0.74
▸ SLC22A8 Q8TCC7 2/20 0.74
▸ SLC22A11 Q9NSA0 2/20 0.74
▸ DAO P14920 1/20 0.74
▸ SNCA P37840 1/20 0.74
▸ CYP2J2 P51589 1/20 0.74
▸ HTR2C P28335 1/20 0.74
▸ ABCC4 O15439 2/20 0.73
▸ MAPT P10636 5/20 0.71
▸ ALB P02768 1/20 0.71
▸ KMT2A Q03164 1/20 0.68
▸ TDP1 Q9NUW8 6/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ RECQL P46063 2/20 0.63

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
SCHEMBL23051167 0.91 NR1I2 (0.77) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL23043566 0.91 NR1I2 (0.77) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684932 0.90 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9683674 0.89 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8869035 0.88 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8869018 0.88 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL13900618 0.88 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8988439 0.88 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9845713 0.88 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10529854 0.88 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8

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
JP-57059895-A — — None — — JP disclosed
JP-S5759895-A 7-BETA-(ALPHA-SYN-METHOXYIMINO-ALPHA-(2- AMINOTHIAZOL-4-YL)-ACETAMIDO)-3-((1,2,3- THIAZOL-5-YL-THIO)METHYL)-3-CEPHEM-4-CARBOXYLIC ACID AND C1-C6 ALKYL DERIVATIVE THEREOF AMERICAN CYANAMID CO 1982-04-10 — — JP disclosed
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