SCHEMBL11201161

SCHEMBL11201161

C=CCNC(=NC#N)SCC=C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 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
SCHEMBL11232573 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11189752 0.72 IDO1 (0.33) ALDH1A1
SCHEMBL10578425 0.72 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL11409614 0.69
SCHEMBL11409617 0.69
SCHEMBL10553707 0.69
SCHEMBL13066357 0.69
SCHEMBL10553713 0.69
SCHEMBL11189757 0.69
Potassium Ion SCHEMBL11775661 0.68 ALDH1A1 (0.30) ALDH1A1

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
EP-0030835-B1 DERIVATIVES OF 2-SUBSTITUTED-6-PHENYL-3(2H)PYRIDAZINONE, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1983-05-11 EP claimed
EP-0030835-A1 Derivatives of 2-substituted-6-phenyl-3(2H)pyridazinone, their production and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-06-24 EP claimed