SCHEMBL5884646

SCHEMBL5884646

CON=Cc1cccc(OCCCC2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
BPTF Q12830 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 2/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
DGAT1 O75907 1/20 0.34
PANK3 Q9H999 2/20 0.33
FURIN P09958 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL5884751 0.95 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5884910 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5884729 0.91 NPC1 (0.37) SMN1; SMN2NPC1RAB9APOLBMAPK1
SCHEMBL5884773 0.90 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5884759 0.89 MEN1 (0.43) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL5884872 0.88 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5884473 0.88 FFAR1 (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5884586 0.86 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5883966 0.86 NPY1R (0.41) SMN1; SMN2NPC1RAB9APOLBMAPK1
SCHEMBL5884326 0.86 NPC1 (0.38) SMN1; SMN2NPC1RAB9APOLBMAPK1

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