SCHEMBL1746035

SCHEMBL1746035

Nc1ccc2c(c1)SCN2C1(N2CCCCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 7/20 0.41
▸ GAA P10253 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ THRB P10828 3/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ HTT P42858 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ GFER P55789 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ YWHAG P61981 1/20 0.35
▸ RAD52 P43351 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL30790657 0.67 MEN1 (0.40) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL499065 0.64 NOS3 (0.58) ALDH1A1POLBDRD3
SCHEMBL8117979 0.63 KMT2A (0.44) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL28770706 0.63 ALDH1A1 (0.71) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL241271 0.62 ALDH1A1 (0.93) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL28281987 0.62 CYP19A1 (0.35) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL499955 0.62 NOS3 (0.57) ALDH1A1POLB
SCHEMBL8154041 0.61 ALDH1A1 (0.69) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL6156455 0.60 ALDH1A1 (0.96) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL160768 0.60 ALDH1A1 (1.00) ALDH1A1POLBMAPTGAAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 — — EP disclosed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 — — EP disclosed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 — — US disclosed
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