SCHEMBL10919932

SCHEMBL10919932

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=C(Cl)Cl)c3csc(N)n3)[C@H]2SC1.[NaH]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.76
▸ PGR P06401 3/20 0.76
▸ POLB P06746 9/20 0.60
▸ MAPT P10636 8/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ CTDSP1 Q9GZU7 2/20 0.60
▸ TDP1 Q9NUW8 8/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ DAO P14920 1/20 0.57
▸ SNCA P37840 1/20 0.57
▸ CYP2J2 P51589 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL10919357 0.99 NR1I2 (0.77) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10919363 0.99 NR1I2 (0.77) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10919936 0.92 NR1I2 (0.67) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11266604 0.91 NR1I2 (0.63) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL8974087 0.91 NR1I2 (0.81) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11002991 0.91 NR1I2 (0.81) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10916623 0.90 NR1I2 (0.64) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL10919274 0.90 NR1I2 (0.64) NR1I2PGRPOLBMAPTALDH1A1
SCHEMBL11011885 0.90 TDP1 (0.75) NR1I2PGRPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL11007014 0.90 NR1I2 (0.80) NR1I2PGRPOLBMAPTALDH1A1

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-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 disclosed
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