SCHEMBL5074783

SCHEMBL5074783

O=C1NC(=O)c2c(SSc3cccc4c3C(=O)NC4=O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.50
▸ PARP1 P09874 5/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP3 P42574 4/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL4590268 0.89 KDM4E (0.45) GSK3BPARP1KDM4EALDH1A1HPGD
Pyridine SCHEMBL5081862 0.88 GSK3B (0.39) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL30091416 0.88 GSK3B (0.50) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL7078965 0.88 GSK3B (0.50) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL1024613 0.84 GSK3B (0.46) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL17474487 0.84 GSK3B (0.46) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL4421846 0.84 KDM4E (0.47) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL2172658 0.84 GSK3B (0.46) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL29016392 0.81 GSK3B (0.43) GSK3BPARP1KDM4EALDH1A1HPGD
SCHEMBL16754925 0.80 GSK3B (0.62) GSK3BPARP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103728-A1 PRECURSOR COATINGS FOR SULFUR COATED CONTROLLED RELEASE FERTILIZERS HUDSON ALICE P (US) 2008-08-28 — — WO disclosed
US-20080196463-A1 Abrasion resistant; central core of particulate urea plant nutrient; coating of adhesive latex polymer coupling agent; film forms adhesive bonds with particulate nutrient; molten sulfur coating layer applied; increase nutrient content of coated fertilizer by reducing overall coating requirement HUDSON ALICE P 2008-08-21 — — US disclosed
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