SCHEMBL9366258

SCHEMBL9366258

CCSSCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.79
▸ HTR2C P28335 1/20 0.79
▸ MAPT P10636 5/20 0.76
▸ PPARG P37231 2/20 0.76
▸ SLC22A6 Q4U2R8 2/20 0.76
▸ SLC22A8 Q8TCC7 2/20 0.76
▸ SLC22A11 Q9NSA0 2/20 0.76
▸ ALB P02768 1/20 0.76
▸ PGR P06401 3/20 0.74
▸ KMT2A Q03164 1/20 0.72
▸ DAO P14920 1/20 0.72
▸ SNCA P37840 1/20 0.72
▸ CYP2J2 P51589 1/20 0.72
▸ ABCC4 O15439 2/20 0.71
▸ TDP1 Q9NUW8 6/20 0.65
▸ APEX1 P27695 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ RECQL P46063 2/20 0.65

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
SCHEMBL9366248 1.00 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9366616 0.93 NR1I2 (0.80) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8869018 0.92 NR1I2 (0.83) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8869035 0.92 NR1I2 (0.83) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL13900618 0.92 NR1I2 (0.83) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL16118738 0.91 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL14594285 0.91 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9366761 0.90 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9683674 0.90 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10367250 0.90 NR1I2 (0.79) 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-0393066-B1 CEPHALOSPORIN ANTIBIOTICS UPJOHN CO (US) 1994-02-02 — — EP disclosed
US-5223496-A Veterinary medicine THE UPJOHN COMPANY (US) 1993-06-29 — — US disclosed
US-5134137-A CEPHALOSPORIN ANTIBIOTICS THE UPJOHN COMPANY (US) 1992-07-28 — — US disclosed
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