SCHEMBL9420528

SCHEMBL9420528

C=CC(=O)NN1CCSCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 2/20 0.32
F13A1 P00488 1/20 0.32
TGM1 P22735 1/20 0.32

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
SCHEMBL907519 0.84 TSHR (0.40) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28988331 0.84
SCHEMBL1337362 0.80 TGM2 (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL26690315 0.80
SCHEMBL615220 0.78 HTT (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27091885 0.78 TSHR (0.38) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL3753325 0.75 TGM2 (0.45) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL2733784 0.75 CA12 (0.53) MAPK1
SCHEMBL1147261 0.75 CA12 (0.45) ALDH1A1
SCHEMBL4120737 0.75 TSHR (0.40) TSHRALDH1A1MAPK1TDP1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379305-B1 Low odor adhesive compositions MINNESOTA MINING & MFG (US) 1994-05-11 EP disclosed
US-4945006-A UNSATURATED CYCLIC AMIDES, ANAEROBIC PROCESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-31 US disclosed
EP-0379305-A1 Low odor adhesive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-25 EP disclosed