SCHEMBL8513374

SCHEMBL8513374

NC(=S)OCCO.NC(=S)OCCO

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6040523 0.97 TSHR (0.35) TSHRMAPK1MEN1KMT2A
SCHEMBL9732148 0.94 TSHR (0.33) TSHRMAPK1MEN1KMT2A
SCHEMBL10780920 0.92 TSHR (0.32) TSHRMAPK1MEN1KMT2A
SCHEMBL10774463 0.89 TSHR (0.30) TSHRMAPK1
SCHEMBL28234695 0.84 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2745616 0.83 TSHR (0.36) TSHR
SCHEMBL26967107 0.82
Butane SCHEMBL28490969 0.82 TSHR (0.46) TSHRMEN1KMT2AALDH1A1
SCHEMBL28474594 0.80
SCHEMBL10617522 0.80 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012071288-A1 SEMICONDUCTOR INKS, FILMS, COATED SUBSTRATES AND METHODS OF PREPARATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 WO disclosed