SCHEMBL13627731

SCHEMBL13627731

CCCC[N+](C)(C)CCC#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.56
TSHR P16473 1/20 0.55
HTT P42858 5/20 0.52
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41
SLC22A1 O15245 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL10571646 0.91 DNM1 (0.67) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492837 0.91 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL10492829 0.91 DNM1 (0.67) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492573 0.91 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492706 0.91 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492622 0.91 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL10257109 0.83 TSHR (0.52) DNM1TSHRHTTKMT2AHSP90AA1
Fluoride Ion SCHEMBL10492723 0.82 HTT (0.62) DNM1TSHRHTTKMT2AHSP90AA1
Thiocyanic Acid SCHEMBL19511868 0.82 DNM1 (0.59) DNM1HTTKMT2AHSP90AA1RAD52
Thiocyanic Acid SCHEMBL19511869 0.82 DNM1 (0.59) DNM1HTTKMT2AHSP90AA1RAD52

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-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO disclosed