SCHEMBL8018699

SCHEMBL8018699

CC(C)(C)OC(=O)NC1=NC2(c3cc([N+](=O)[O-])ccc3F)CCCCC[C@H]2CS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 3/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
GNRHR P30968 1/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
ALOX5 P09917 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
BRAF P15056 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2619816 1.00 BACE2 (0.41) BACE2BACE1ALDH1A1DRD2L3MBTL1
SCHEMBL10288284 0.99 BACE2 (0.41) BACE2BACE1ALDH1A1DRD2L3MBTL1
SCHEMBL2619800 0.99 BACE2 (0.41) BACE2BACE1ALDH1A1DRD2L3MBTL1
SCHEMBL2619815 0.99 BACE2 (0.41) BACE2BACE1ALDH1A1DRD2L3MBTL1
SCHEMBL2619807 0.97 BACE2 (0.43) BACE2BACE1ALDH1A1DRD2L3MBTL1
SCHEMBL2619801 0.92 BACE1 (0.41) BACE2BACE1BRAF
SCHEMBL8030658 0.90 BACE1 (0.41) BACE2BACE1BRAF
SCHEMBL2619813 0.89 BACE1 (0.34) BACE2BACE1DRD2SIRT2
SCHEMBL2619814 0.89 GNRHR (0.40) ALDH1A1DRD2L3MBTL1NPC1RAB9A
SCHEMBL13009646 0.88 DRD2 (0.35) BACE2BACE1ALDH1A1DRD2L3MBTL1

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed