SCHEMBL8795161

SCHEMBL8795161

CC(=O)Nc1ccc(SCCCCN)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
GAA P10253 1/20 0.58
USP2 O75604 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CYP1A1 P04798 1/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL18782334 0.86 RAB9A (0.63) RAB9ANPC1GAAUSP2MEN1
SCHEMBL9518238 0.85 GAA (0.71) RAB9ANPC1GAAUSP2MEN1
SCHEMBL9478153 0.84 RAB9A (0.62) RAB9ANPC1GAAUSP2MEN1
SCHEMBL464521 0.84 RAB9A (0.65) RAB9ANPC1GAAUSP2MEN1
SCHEMBL11388934 0.84 RAB9A (0.65) RAB9ANPC1GAAUSP2MEN1
SCHEMBL11385176 0.83 RAB9A (0.63) RAB9ANPC1GAAUSP2MEN1
SCHEMBL414342 0.83 RAB9A (0.72) RAB9ANPC1GAAUSP2MEN1
SCHEMBL9810752 0.81 RAB9A (0.58) RAB9ANPC1GAAUSP2MEN1
SCHEMBL11841835 0.80 GAA (0.65) RAB9ANPC1GAAUSP2MEN1
SCHEMBL10995756 0.80 RAB9A (0.56) RAB9ANPC1GAAUSP2MEN1

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
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP disclosed