SCHEMBL9705475

SCHEMBL9705475

Nc1nc(/C(=N\OC2CC2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nncs4)CS[C@H]23)ns1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.51
▸ PGR P06401 2/20 0.51
▸ SLC22A6 Q4U2R8 3/20 0.48
▸ SLC22A8 Q8TCC7 3/20 0.48
▸ SLC22A11 Q9NSA0 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ DAO P14920 1/20 0.48
▸ SNCA P37840 1/20 0.48
▸ CYP2J2 P51589 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALB P02768 1/20 0.46
▸ TDP1 Q9NUW8 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ CYP2D6 P10635 1/20 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
SCHEMBL9705481 1.00 NR1I2 (0.51) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10854885 0.97 NR1I2 (0.50) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10854893 0.97 NR1I2 (0.50) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10859950 0.97 NR1I2 (0.49) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10859944 0.97 NR1I2 (0.49) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11445294 0.93 NR1I2 (0.48) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11445293 0.93 NR1I2 (0.48) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10838302 0.92 KCNH2 (0.57) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10838309 0.92 KCNH2 (0.57) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10838814 0.92 NR1I2 (0.60) NR1I2PGRSLC22A6SLC22A8SLC22A11

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
EP-0192210-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 — — EP disclosed
US-4973699-A Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 — — US disclosed
US-4861769-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-29 — — US disclosed
EP-0192210-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-27 — — EP disclosed
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