SCHEMBL10532874

SCHEMBL10532874

C#CC1=C(OC(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.64
▸ HTR2C P28335 1/20 0.64
▸ PGR P06401 3/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ MAPT P10636 3/20 0.61
▸ PPARG P37231 2/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ ALB P02768 1/20 0.61
▸ PTGS1 P23219 2/20 0.58
▸ TDP1 Q9NUW8 6/20 0.58
▸ APEX1 P27695 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ABCC4 O15439 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58

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
SCHEMBL10528758 0.89 NR1I2 (0.75) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10528776 0.89 NR1I2 (0.75) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL9635751 0.89 PTGS1 (0.68) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10529660 0.86 TDP1 (0.72) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10812505 0.86 TDP1 (0.66) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL6648968 0.86 NR1I2 (0.80) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL9367474 0.86 NR1I2 (0.70) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10529690 0.86 TDP1 (0.72) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10531127 0.85 NR1I2 (0.62) NR1I2HTR2CPGRPTGS2MAPT
SCHEMBL10529740 0.85 NR1I2 (0.62) NR1I2HTR2CPGRPTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109683-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 — — EP claimed
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