SCHEMBL10838516

SCHEMBL10838516

CCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nnnn4n3)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.53
▸ PGR P06401 3/20 0.53
▸ KCNH2 Q12809 1/20 0.51
▸ SLC22A6 Q4U2R8 4/20 0.45
▸ SLC22A8 Q8TCC7 4/20 0.45
▸ SLC22A11 Q9NSA0 4/20 0.45
▸ PPARG P37231 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DAO P14920 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43

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
SCHEMBL10838519 1.00 NR1I2 (0.53) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10857283 0.94 NR1I2 (0.52) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10857276 0.94 NR1I2 (0.52) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10858010 0.94 NR1I2 (0.51) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10858006 0.94 NR1I2 (0.51) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10836931 0.94 NR1I2 (0.60) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10836928 0.94 NR1I2 (0.60) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10856036 0.92 NR1I2 (0.50) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10856031 0.92 NR1I2 (0.50) NR1I2PGRKCNH2SLC22A6SLC22A8
SCHEMBL10838266 0.92 NR1I2 (0.52) NR1I2PGRKCNH2SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585872-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 — — US disclosed
US-4447429-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-05-08 — — US disclosed
US-4268509-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-19 — — US disclosed
EP-0007470-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 — — EP disclosed
Send feedback