SCHEMBL7863659

SCHEMBL7863659

CON=C(C)c1ccc(N2CCOCC2)cc1.CON=C(C)c1cccc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.64
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
ALOX12 P18054 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 6/20 0.46
GAA P10253 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL7784338 1.00 MAPT (0.64) MAPTALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL6811647 0.87 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL6811645 0.87 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL7784341 0.86 MAPT (0.49) MAPTALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL29778327 0.80 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL6811343 0.80 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL6811346 0.80 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL15597543 0.73 L3MBTL1 (0.62) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12980 0.70 ADRB1 (0.62) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL27485349 0.70 GSK3B (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed