SCHEMBL5883969

SCHEMBL5883969

CCON=Cc1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 2/20 0.38
POLB P06746 2/20 0.37
JAK2 O60674 2/20 0.35
SYK P43405 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL5884475 0.92 TDP1 (0.41) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL5884893 0.83 GPR119 (0.44) KCNH2KMT2A
SCHEMBL5885023 0.82 KCNH2 (0.37) MAPTSMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL5884481 0.80 CTSS (0.39) MAPTL3MBTL1KCNH2POLBKMT2A
SCHEMBL5884598 0.79 KCNH2 (0.36) MAPTSMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL5884333 0.79 KCNH2 (0.39) MAPTSMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL5884689 0.79 KCNH2 (0.39) MAPTSMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL5884624 0.78 GPR119 (0.44) KCNH2
SCHEMBL5884212 0.78 RXFP1 (0.37) MAPTSMN1; SMN2ALDH1A1KCNH2KMT2A
SCHEMBL5884253 0.78 KMT2A (0.40) MAPTSMN1; SMN2TDP1LMNAALDH1A1

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