SCHEMBL691268

SCHEMBL691268

COc1cc(NC(=O)O)c(Br)c(OC)c1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL146137 0.86 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPTALOX15
SCHEMBL30434536 0.86 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPTALOX15
SCHEMBL149433 0.75 CD274 (0.43) KMT2AMEN1SMN1; SMN2MAPTALOX15
SCHEMBL30434923 0.72 CD274 (0.43) KMT2AMEN1SMN1; SMN2MAPTALOX15
SCHEMBL144292 0.72 CD274 (0.43) KMT2AMEN1SMN1; SMN2MAPTALOX15
SCHEMBL690689 0.72 ABCB1 (0.39) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL148489 0.71 ALDH1A1 (0.45) SMN1; SMN2MAPTHTTALDH1A1KDM4E
SCHEMBL21382342 0.68 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL27868672 0.68 ALDH1A1 (0.42) KMT2ASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL21957070 0.67 HTT (0.67) KMT2AMEN1SMN1; SMN2MAPTHTT

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
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed