SCHEMBL5069866

SCHEMBL5069866

COc1cc2[nH]cc(-c3cccn3S(=O)(=O)c3ccc(C)cc3)c2cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 2/20 0.39
CFD P00746 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL5794825 1.00 CTSV (0.43) CTSVCTSLSRD5A1SRD5A2CFD
SCHEMBL5069977 0.90 RAPGEF4 (0.41) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL5796339 0.87 CTSV (0.41) CTSVCTSLSRD5A1SRD5A2CFD
SCHEMBL5795248 0.83 SRD5A1 (0.41) CTSVCTSLSRD5A1SRD5A2CFD
SCHEMBL1780128 0.82 CCNE1 (0.41) CTSVCTSLSRD5A1SRD5A2OPRM1
SCHEMBL1748701 0.82 CCNE1 (0.41) CTSVCTSLSRD5A1SRD5A2OPRM1
SCHEMBL1748944 0.81 CTSV (0.40) CTSVCTSLSRD5A1SRD5A2OPRM1
SCHEMBL5797369 0.78 MAPT (0.42) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL5795867 0.75 MAPT (0.39) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5795964 0.74 HTR6 (0.42) MAPTALDH1A1SMN1; SMN2RAPGEF4MEN1

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
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed