SCHEMBL11042965

SCHEMBL11042965

CCCC(C)CCNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL11046087 0.89 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL9189703 0.89 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL6284685 0.86 MAPT (0.50) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL7193484 0.84 ALDH1A1 (0.52) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL9572777 0.82 MAPT (0.44) MAPTALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL9572804 0.81 MAPT (0.48) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL1848362 0.80 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL17297894 0.80 RAB9A (0.45) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL1548538 0.79 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL11044866 0.79 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1SMN1; SMN2SIGMAR1

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-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed