SCHEMBL3075946

SCHEMBL3075946

S=C(NC1CCCCC1)C(=S)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
CYP3A4 P08684 2/20 0.70
TP53 P04637 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 3/20 0.70
MAPK1 P28482 1/20 0.70
DUSP3 P51452 1/20 0.70
PTPN5 P54829 1/20 0.70
PTPN11 Q06124 1/20 0.70
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
EPHX1 P07099 5/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.55
EPHX2 P34913 1/20 0.55
SIGMAR1 Q99720 3/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL3068524 0.87 SMN1; SMN2 (0.61) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL3077540 0.83 NPC1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL491492 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL11842060 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL11597254 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL3071624 0.81 SMN1; SMN2 (0.67) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL5695564 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL24531349 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL21560406 0.78 ALDH1A1 (0.80) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1
SCHEMBL1605352 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4TP53SMN1; SMN2NPC1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4068052-A Reducing PVC polymer buildup in polymerization reactors with dithioxamides and alumina CONTINENTAL OIL COMPANY (US) 1978-01-10 US claimed
US-4028272-A Process of polymerization of conjugated diolefins using iron catalysts and sulfur ligands THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-06-07 US claimed
US-9601778-B2 Electrode active material , electrode and secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2017-03-21 US disclosed
US-9601757-B2 Electrode active material, production method for said electrode active material, electrode and secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2017-03-21 US disclosed
US-20140248535-A1 ELECTRODE ACTIVE MATERIAL , ELECTRODE AND SECONDARY BATTERY MURATA MANUFACTURING CO.,LTD. (JP) 2014-09-04 US disclosed
US-20140248536-A1 ELECTRODE ACTIVE MATERIAL , PRODUCTION METHOD FOR SAID ELECTRODE ACTIVE MATERIAL, ELECTRODE AND SECONDARY BATTERY MURATA MANUFACTURING CO., LTD. (JP) 2014-09-04 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-5411670-A Aqueous liquid carrier and combination of antimony compound activated by a specific condensation product; oil field tubing HALLIBURTON COMPANY (US) 1995-05-02 US disclosed
US-5366643-A Method and composition for acidizing subterranean formations HALLIBURTON COMPANY (US) 1994-11-22 US disclosed
EP-0489498-B1 Acidizing subterranean formations HALLIBURTON CO (US) 1994-05-11 EP disclosed
EP-0489498-A1 Acidizing subterranean formations HALLIBURTON COMPANY (US) 1992-06-10 EP disclosed
US-4104454-A COATING WITH A DITHIOOXAMIDE CONTINENTAL OIL COMPANY (US) 1978-08-01 US disclosed
US-4068052-A Reducing PVC polymer buildup in polymerization reactors with dithioxamides and alumina CONTINENTAL OIL COMPANY (US) 1978-01-10 US disclosed
US-4028272-A Process of polymerization of conjugated diolefins using iron catalysts and sulfur ligands THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-06-07 US disclosed
US-3936432-A AND SULFUR LIGANDSS- OR O-CONTAINING LIGANDS WITH IMINE OR IMIDAZOLE GROUPS; DITHIOOXAMIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-02-03 US disclosed
US-3932296-A AMMONIA DERIVATIVE, QUARTERNARY AMMONIUM COMPOUND THE DOW CHEMICAL COMPANY (US) 1976-01-13 US disclosed