SCHEMBL2551775

SCHEMBL2551775

CCOC(=O)C(CN1CCOCC1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
JAK2 O60674 2/20 0.65
PAX8 Q06710 1/20 0.65
LMNA P02545 6/20 0.61
MAPT P10636 4/20 0.61
MITF O75030 2/20 0.61
HTT P42858 2/20 0.61
TP53 P04637 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
THRB P10828 1/20 0.61
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.58
HSP90AA1 P07900 1/20 0.58
NTSR1 P30989 1/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL2552200 0.87 ALDH1A1 (0.62) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL2552921 0.86 ALDH1A1 (0.61) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL30771327 0.84 GAA (0.57) SMN1; SMN2JAK2PAX8LMNAMITF
SCHEMBL12284224 0.84 SMN1; SMN2 (0.65) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL10502713 0.83 GAA (0.52) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL6320116 0.80 SMN1; SMN2 (0.81) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL4207828 0.79 KDM4E (0.49) SMN1; SMN2JAK2PAX8LMNAMITF
SCHEMBL22323042 0.79 ALDH1A1 (0.62) SMN1; SMN2JAK2PAX8LMNAMAPT
SCHEMBL21807155 0.79 GAA (0.50) SMN1; SMN2JAK2PAX8MITFHTT
SCHEMBL15063194 0.79 TSHR (0.62) SMN1; SMN2LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
CN-1045597-C Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1999-10-13 CN disclosed
US-5852006-A N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds NIPPON CHEMIPHAR CO., LTD. (JP) 1998-12-22 US disclosed
EP-0579169-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1998-09-02 EP disclosed
US-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed
CN-1092412-A Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-09-21 CN disclosed
EP-0579169-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1994-01-19 EP disclosed