SCHEMBL4602906

SCHEMBL4602906

CCCCCCCCCCCCCCCCCCN(C)C(C)=S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MGLL Q99685 1/20 0.45
EPHX2 P34913 4/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
GBA1 P04062 1/20 0.38
GGPS1 O95749 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37

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
SCHEMBL23424043 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA9
SCHEMBL9666739 0.83 DNM1 (0.52) DNM1CA12CA1CA2CA9
SCHEMBL6197655 0.81 DNM1 (0.50) DNM1CA12CA1CA2CA9
SCHEMBL30700012 0.79 MGLL (0.48) DNM1CA12CA1CA2CA9
SCHEMBL6197648 0.79 CA12 (0.54) DNM1CA12CA1CA2CA9
SCHEMBL8394685 0.79 CA12 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL24809398 0.79 CA12 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL23388550 0.79 MGLL (0.48) DNM1CA12CA1CA2CA9
SCHEMBL1285949 0.79 MGLL (0.48) DNM1CA12CA1CA2CA9
SCHEMBL9666778 0.79 CA12 (0.48) DNM1CA12CA1CA2CA9

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
EP-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
EP-1694748-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005047373-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-26 WO disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed