SCHEMBL2950477

SCHEMBL2950477

COc1cc(C(CO)N2CCOCC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 4/20 0.43
P4HB P07237 2/20 0.42
SMAD3 P84022 2/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL30475844 0.90 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHSD17B10ACHE
SCHEMBL2950856 0.81 ACHE (0.51) ALDH1A1L3MBTL1KDM4EHSD17B10ACHE
SCHEMBL2950474 0.77 KDM4E (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL25384511 0.77 ACHE (0.47) ALDH1A1L3MBTL1KDM4EHSD17B10ACHE
SCHEMBL6073275 0.76 DPP4 (0.42) ALDH1A1SMN1; SMN2TP53THRBP2RX7
SCHEMBL11383249 0.75 SLC6A2 (0.49) ALDH1A1ACHESLC6A2SLC6A4SLC6A3
SCHEMBL3311700 0.73 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL3316437 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14775491 0.71 ACHE (0.55) ALDH1A1L3MBTL1KDM4EHSD17B10ACHE
SCHEMBL14775127 0.71 SLC6A2 (0.66) ALDH1A1L3MBTL1KDM4EACHESMN1; SMN2

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed