SCHEMBL3346035

SCHEMBL3346035

CCC(C)S(=O)(=O)Nc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
WDR5 P61964 1/20 0.33
BRAF P15056 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KDM4D Q6B0I6 1/20 0.32
GLP1R P43220 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CTRC Q99895 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TPMT P51580 1/20 0.31

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
SCHEMBL2260765 0.79 KDM4D (0.40) KMT2AWDR5KDM4EKDM4DSMN1; SMN2
SCHEMBL3350173 0.77 KDM4D (0.52) HCAR3HCAR2KDM4EKDM4DEGLN1
SCHEMBL18360158 0.74 HCAR3 (0.49) HCAR3HCAR2KMT2AMEN1KDM4E
SCHEMBL15295907 0.74 HCAR3 (0.49) HCAR3HCAR2KMT2AMEN1KDM4E
SCHEMBL2259073 0.72 PTGS2 (0.41) KMT2AWDR5KDM4DSMN1; SMN2ALDH1A1
SCHEMBL5586094 0.72 HCAR3 (0.44) HCAR3HCAR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6079761 0.72 HCAR3 (0.51) HCAR3KDM4DEGLN1ALDH1A1CTRC
SCHEMBL11676816 0.70 HCAR3 (0.54) HCAR3KDM4DSMN1; SMN2ALDH1A1LMNA
SCHEMBL20186697 0.70 HPGD (0.51) KDM4ETDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5159054 0.69 HCAR3 (0.38) HCAR3HCAR2KDM4EGLP1RSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed