SCHEMBL9623349

SCHEMBL9623349

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CS/C=C\C#N)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.73
▸ HTR2C P28335 1/20 0.73
▸ MAPT P10636 5/20 0.70
▸ PPARG P37231 2/20 0.70
▸ SLC22A6 Q4U2R8 2/20 0.70
▸ SLC22A8 Q8TCC7 2/20 0.70
▸ SLC22A11 Q9NSA0 2/20 0.70
▸ ALB P02768 1/20 0.70
▸ PGR P06401 2/20 0.69
▸ KMT2A Q03164 1/20 0.67
▸ DAO P14920 1/20 0.67
▸ SNCA P37840 1/20 0.67
▸ CYP2J2 P51589 1/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ TDP1 Q9NUW8 6/20 0.61
▸ APEX1 P27695 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ RECQL P46063 2/20 0.61

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
SCHEMBL9623352 1.00 NR1I2 (0.73) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9623446 1.00 NR1I2 (0.73) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9623443 1.00 NR1I2 (0.73) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9600120 0.91 NR1I2 (0.60) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9600113 0.91 NR1I2 (0.60) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9624145 0.91 APAF1 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9624148 0.91 APAF1 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9623415 0.91 APAF1 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9623411 0.91 APAF1 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9623342 0.91 NR1I2 (0.59) NR1I2HTR2CMAPTPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145906-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-11 — — EP disclosed
US-4622318-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-11 — — US disclosed
EP-0145906-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-26 — — EP disclosed
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