SCHEMBL5884864

SCHEMBL5884864

CCOC(=N)c1ccc(OCCC2CCN(c3nc(C(=O)OCC)cs3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
OGA O60502 1/20 0.42
NPC1 O15118 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.39
PPARA Q07869 2/20 0.39

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
SCHEMBL5884687 0.95 SMN1; SMN2 (0.45) SMN1; SMN2HSP90AA1MAPTRAB9AMAPK1
SCHEMBL5884866 0.83 OGA (0.40) SMN1; SMN2HSP90AA1MAPTRAB9AMAPK1
SCHEMBL5884691 0.83 RAB9A (0.41) SMN1; SMN2HSP90AA1MAPTRAB9AMAPK1
SCHEMBL9385555 0.78 KCNH2 (0.52) SMN1; SMN2HSP90AA1MAPTRAB9AMAPK1
SCHEMBL3435164 0.77 OGA (0.50) SMN1; SMN2MAPTRAB9AMAPK1OGA
SCHEMBL9381746 0.76 KCNH2 (0.44) SMN1; SMN2MAPTPPARGPPARDALDH1A1
SCHEMBL15888540 0.75 OGA (0.48) SMN1; SMN2HSP90AA1MAPTRAB9AMAPK1
SCHEMBL5723882 0.75 OGA (0.52) SMN1; SMN2MAPTRAB9AMAPK1OGA
SCHEMBL9379884 0.75 KCNH2 (0.44) SMN1; SMN2MAPTOGAPPARGPPARD
SCHEMBL27139389 0.74 OGA (0.47) SMN1; SMN2MAPTRAB9AOGANPC1

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed