SCHEMBL3346471

SCHEMBL3346471

O=C(OCCl)C1CCN(C(=O)OCCl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CHRM1 P11229 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL3499191 0.92 MAPT (0.62) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL3346477 0.87 SMN1; SMN2 (0.58) GAAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL62508 0.83 HPGD (0.57) MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL12987073 0.81
SCHEMBL7508338 0.81
SCHEMBL8259432 0.81 ALDH1A1 (0.58) GAAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL1720494 0.81 MAPT (0.72) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL19682978 0.81 SMN1; SMN2 (0.75) MAPTHTTKMT2ASMN1; SMN2NPC1
SCHEMBL25194096 0.78 GAA (0.41) GAAMAPTALDH1A1HTTTDP1
SCHEMBL2911286 0.77 ALDH1A1 (0.48) GAAALDH1A1HTTSMN1; SMN2KDM4E

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-3887520-A1 ANTIBACTERIAL ANTISENSE AGENTS Pedanius Therapeutics Limited (GB) 2021-10-06 EP disclosed
WO-2020109792-A1 ANTIBACTERIAL ANTISENSE AGENTS Pedanius Therapeutics Limited (GB) 2020-06-04 WO disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO disclosed