SCHEMBL5884866

SCHEMBL5884866

CCON=Cc1ccc(OCCC2CCN(c3nc(C(=O)OCC)cs3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
HSP90AA1 P07900 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
GAA P10253 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL5884691 0.93 RAB9A (0.41) OGAMAPTRAB9AHSP90AA1NPC1
SCHEMBL5884864 0.83 SMN1; SMN2 (0.44) OGAMAPTRAB9AHSP90AA1NPC1
SCHEMBL5884687 0.81 SMN1; SMN2 (0.45) OGAMAPTRAB9AHSP90AA1NPC1
SCHEMBL5884212 0.79 RXFP1 (0.37) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5884282 0.76 KMT2A (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5884481 0.75 CTSS (0.39) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5884333 0.75 KCNH2 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5884689 0.75 KCNH2 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5884893 0.75 GPR119 (0.44) KMT2AKCNH2
SCHEMBL5883844 0.75 MEN1 (0.38) MAPTMEN1ALDH1A1KMT2AHPGD

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