SCHEMBL8969250

SCHEMBL8969250

O=S(=O)(O)c1nc2c(C3CCCCC3)cccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
MAOB P27338 1/20 0.35
CA2 P00918 3/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
RBP4 P02753 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL540891 0.88 CA2 (0.48) CA2PTGS2CA12CA1CA4
SCHEMBL4673792 0.77 KMT2A (0.42) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL20305613 0.76 LMNA (0.50) MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL27626936 0.76 LMNA (0.50) MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL8823216 0.75 CA2 (0.41) CA2PTGS2CA12CA1CA4
SCHEMBL31510136 0.75 CA2 (0.41) CA2PTGS2CA12CA1CA4
SCHEMBL2758377 0.74 PTGS2 (0.44) PTGS2PTGDR2
SCHEMBL333081 0.73 KMT2A (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28136959 0.73 PSMB8 (0.39) CA2CA12CA1CA4CA7
SCHEMBL28471930 0.73 KMT2A (0.37) CNR1CNR2TP53MAPTMEN1

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-5531649-A Toothed power transmission belt MITSUBOSHI BELTING LTD. (JP) 1996-07-02 US disclosed