SCHEMBL10919137

SCHEMBL10919137

CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=C(Cl)Cl)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.76
▸ HSD17B10 Q99714 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ NR1I2 O75469 5/20 0.63
▸ PGR P06401 3/20 0.63
▸ PPARG P37231 3/20 0.54
▸ SLC22A6 Q4U2R8 3/20 0.54
▸ SLC22A8 Q8TCC7 3/20 0.54
▸ SLC22A11 Q9NSA0 3/20 0.54
▸ DAO P14920 1/20 0.54
▸ SNCA P37840 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ HTR2C P28335 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPT P10636 8/20 0.49
▸ POLB P06746 6/20 0.49

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
SCHEMBL10916760 1.00 TDP1 (0.76) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL11011885 0.99 TDP1 (0.75) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL11011890 0.94 TDP1 (0.66) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL10916623 0.91 NR1I2 (0.64) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL16439002 0.91 TDP1 (0.81) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL10919274 0.91 NR1I2 (0.64) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL10916765 0.91 TDP1 (0.62) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL11266604 0.90 NR1I2 (0.63) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL10919363 0.90 NR1I2 (0.77) TDP1HSD17B10LMNAL3MBTL1NR1I2
SCHEMBL10919357 0.90 NR1I2 (0.77) TDP1HSD17B10LMNAL3MBTL1NR1I2

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-0048954-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND INTERMEDIATE PRODUCTS FOR THE PREPARATION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 — — EP claimed
EP-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 — — EP claimed
EP-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 — — EP disclosed
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