SCHEMBL5884495

SCHEMBL5884495

O=Cc1ccc(OCCCCCNc2ccc(Cl)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
CA9 Q16790 1/20 0.35
LTA4H P09960 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL5884693 0.80 MEN1 (0.41) MAPTL3MBTL1NPC1RAB9A
SCHEMBL5884838 0.80 MEN1 (0.41) MAPTL3MBTL1NPC1RAB9A
SCHEMBL5884754 0.79 MEN1 (0.41) MAPTL3MBTL1NPC1RAB9A
SCHEMBL8374769 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8549614 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8373486 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3113016 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8373505 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8315263 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8205008 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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 4 patents. 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 disclosed
EP-1187827-A4 ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2002-10-24 EP disclosed
EP-1187827-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2002-03-20 EP disclosed
WO-2000078746-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2000-12-28 WO disclosed