SCHEMBL4625690

SCHEMBL4625690

c1cn(SSn2ccnc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.41
QPCT Q16769 1/20 0.41
HSD17B10 Q99714 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
TBXAS1 P24557 1/20 0.35
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP11B1 P15538 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ENPP2 Q13822 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
HTT P42858 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL21024558 0.84
SCHEMBL19977135 0.84
SCHEMBL1859300 0.81 NFKB1 (0.41) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL27319752 0.78
SCHEMBL11035496 0.77
SCHEMBL22929177 0.77
SCHEMBL20683087 0.77
SCHEMBL2957493 0.77
SCHEMBL15824596 0.77
SCHEMBL11436335 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55062073-A None JP disclosed
EP-1114858-B1 Preparation of lubricant additives with reduced unpleasant odor AFTON CHEMICAL INTANGIBLES LLC (US) 2008-05-07 EP disclosed
EP-1114858-A2 Preparation of lubricant additives with reduced unpleasant odor ETHYL CORPORATION (US) 2001-07-11 EP disclosed
US-6133207-A COMBINING OXIDIZABLE PHOSPHORUS COMPOUND AND ALKYLAMINE WITH SOURCE OF REACTIVE SULFUR TO PARTIALLY OXIDIZE, ADDING COMPOUND THAT GENERATES ODOR ETHYL CORPORATION (US) 2000-10-17 US disclosed
JP-S5562073-A PRODUCTION OF IMIDAZOLE SUMITOMO CHEM CO LTD 1980-05-10 JP disclosed