SCHEMBL9168002

SCHEMBL9168002

C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1.C=CS(=O)(=O)OS(=O)(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.36
PAX8 Q06710 2/20 0.34
CASP3 P42574 1/20 0.31

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
SCHEMBL9445053 0.80 ACHE (0.37) ACHEPAX8CASP3
SCHEMBL214239 0.80 ACHE (0.37) ACHEPAX8CASP3
SCHEMBL27558900 0.78 ACHE (0.36) ACHEPAX8CASP3
SCHEMBL9615263 0.73 CYP1A2 (0.33) ACHE
SCHEMBL576989 0.72
SCHEMBL20382858 0.70 ACHE (0.33) ACHEPAX8
SCHEMBL792365 0.70 CYP1A2 (0.41) ACHEPAX8
SCHEMBL11240174 0.68
SCHEMBL28335724 0.68 ALDH1A1 (0.38) ACHEPAX8
SCHEMBL237862 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144087-B2 Heat-developable color light-sensitive material KONISHIROKU PHOTO IND (JP) 1995-05-24 EP disclosed
EP-0144087-B1 HEAT-DEVELOPABLE COLOR LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1990-04-18 EP disclosed
US-4840882-A CONTAINING A VINYL SULFONYL HARDENER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-06-20 US disclosed
EP-0144087-A2 Heat-developable color light-sensitive material KONICA CORPORATION (JP) 1985-06-12 EP disclosed