SCHEMBL17858063

SCHEMBL17858063

C=CC(=O)NCCC[N+](C)(C)Cc1ccc(CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
TGM2 P21980 6/20 0.40
GAA P10253 1/20 0.40
PSMD14 O00487 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
MC4R P32245 1/20 0.38
RAD52 P43351 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
DNM1 Q05193 2/20 0.37
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16319751 0.94 ZDHHC20 (0.46) ZDHHC20ZDHHC2KMT2AATMTGM2
Bromide SCHEMBL14637403 0.93 ZDHHC20 (0.45) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL18314763 0.90 ZDHHC20 (0.49) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL13903978 0.88 TGM2 (0.53) ZDHHC20ZDHHC2KMT2AATMTGM2
Water SCHEMBL9650629 0.86 TGM2 (0.52) ZDHHC20ZDHHC2KMT2AATMTGM2
Bromide SCHEMBL28624083 0.86 TGM2 (0.52) ZDHHC20ZDHHC2KMT2AATMTGM2
Hydrochloric Acid SCHEMBL4995421 0.86 TGM2 (0.52) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL14652639 0.86 TGM2 (0.45) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL18359030 0.83 ZDHHC20 (0.46) ZDHHC20ZDHHC2TGM2GAATHRA
SCHEMBL19458378 0.83 SIGMAR1 (0.42)

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
US-20160177006-A1 ION EXCHANGE FILM, COMPOSITION FOR FORMING ION EXCHANGE FILM, AND PRODUCTION METHOD FOR ION EXCHANGE FILM FUJIFILM CORPORATION (JP) 2016-06-23 US disclosed