SCHEMBL3748599

SCHEMBL3748599

CCN(CC)c1ccc(C=Cc2cccc[n+]2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
NPC1 O15118 5/20 0.60
GFER P55789 2/20 0.60
POLB P06746 1/20 0.60
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.52
HTT P42858 1/20 0.52
PABPC1 P11940 2/20 0.51
EIF4H Q15056 1/20 0.51
GAA P10253 1/20 0.49
APOBEC3A P31941 3/20 0.48
APOBEC3G Q9HC16 3/20 0.48
KDM4A O75164 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47

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
SCHEMBL4567105 1.00 RAB9A (0.60) RAB9AMEN1KMT2ANPC1GFER
Iodide SCHEMBL592266 0.98 RAB9A (0.62) RAB9AMEN1KMT2ANPC1GFER
Iodide SCHEMBL10843215 0.98 RAB9A (0.62) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL10104063 0.88 RAB9A (0.49) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL15624207 0.87 RAB9A (0.57) RAB9AMEN1KMT2ANPC1GFER
Iodide SCHEMBL8702276 0.85 KDM4A (0.53) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL6530337 0.84 MEN1 (0.74) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL768765 0.83 MEN1 (0.69) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL5676661 0.83 MEN1 (0.69) RAB9AMEN1KMT2ANPC1GFER
SCHEMBL10069287 0.83 ACHE (0.68) RAB9AMEN1KMT2ANPC1GFER

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-20100298420-A1 Compositions and Methods for Intracellular Delivery YISSUM, RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-25 US disclosed