SCHEMBL9602176

SCHEMBL9602176

Cn1nc(O)c(=O)nc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC(F)F)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.69
▸ MAPT P10636 5/20 0.69
▸ APEX1 P27695 3/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ RECQL P46063 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ NR1I2 O75469 4/20 0.69
▸ PGR P06401 2/20 0.69
▸ PPARG P37231 2/20 0.69
▸ SLC22A6 Q4U2R8 2/20 0.69
▸ SLC22A8 Q8TCC7 2/20 0.69
▸ SLC22A11 Q9NSA0 2/20 0.69
▸ DAO P14920 1/20 0.69
▸ SNCA P37840 1/20 0.69
▸ CYP2J2 P51589 1/20 0.69
▸ ABCC4 O15439 2/20 0.68

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
SCHEMBL9602167 1.00 TDP1 (0.69) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL23354 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL8619948 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL2006477 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL30307091 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL8378294 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL2006478 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL4897101 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL2224183 0.92 NR1I2 (0.80) TDP1MAPTAPEX1HSD17B10ALDH1A1
Ceftriaxone SCHEMBL22635993 0.92 NR1I2 (0.79) TDP1MAPTAPEX1HSD17B10ALDH1A1

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-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4761410-A MICROBIOCIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 — — US disclosed
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 — — EP disclosed
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