SCHEMBL3408170

SCHEMBL3408170

CCN(CC)C(=S)OCC#N.NC(O)=S

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.31
EHMT1 Q9H9B1 3/20 0.31
ABCB11 O95342 2/20 0.31
HTT P42858 2/20 0.31
GSDMD P57764 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
CYP2E1 P05181 1/20 0.31
PTGS1 P23219 1/20 0.31
DPP4 P27487 1/20 0.31
PHGDH O43175 1/20 0.30
PLIN1 O60240 1/20 0.30
GMNN O75496 1/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL1618722 0.81 CHRNB2 (0.36)
Ammonia Solution, Strong SCHEMBL27703488 0.79 CA12 (0.34) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL5972451 0.78 CA12 (0.37) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL27590106 0.78 CA12 (0.37) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL27609015 0.78 CA12 (0.37) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL27347286 0.78 CA12 (0.37) EHMT2EHMT1ABCB11HTTGSDMD
Hydrochloric Acid SCHEMBL28165273 0.76 CA12 (0.36) EHMT2EHMT1ABCB11HTTGSDMD
Ethane SCHEMBL27645957 0.76 CA12 (0.36) EHMT2EHMT1ABCB11HTTGSDMD
Bromide SCHEMBL28081839 0.76 CA12 (0.36) EHMT2EHMT1ABCB11HTTGSDMD
Ammonia Solution, Strong SCHEMBL27539814 0.76 CA12 (0.36) EHMT2EHMT1ABCB11HTTGSDMD

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-2257573-A1 IMPROVED CONTROLLED RADICAL POLYMERIZATION PROCESSES Carnegie Mellon University (US) 2010-12-08 EP disclosed
WO-2009111725-A1 IMPROVED CONTROLLED RADICAL POLYMERIZATION PROCESSES CARNEGIE MELLON UNIVERSITY (US) 2009-09-11 WO disclosed