SCHEMBL5884773

SCHEMBL5884773

CON=Cc1cccc(OCC2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TLR4 O00206 2/20 0.37
TLR2 O60603 2/20 0.37
BPTF Q12830 1/20 0.37
DGAT1 O75907 5/20 0.37
CYP3A4 P08684 1/20 0.37
SOAT1 P35610 1/20 0.37
FFAR1 O14842 2/20 0.37
CYP1A2 P05177 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
SCHEMBL5884948 0.91 MEN1 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884751 0.91 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884646 0.90 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884368 0.90 NPC1 (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5883939 0.83 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884889 0.82 NPC1 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884586 0.81 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884910 0.81 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884326 0.81 NPC1 (0.38) SMN1; SMN2NPC1RAB9ADGAT1
SCHEMBL5884729 0.80 NPC1 (0.37) SMN1; SMN2NPC1RAB9ADGAT1

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