SCHEMBL5325880

SCHEMBL5325880

COc1c(C)[c]ccc1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1491066 0.80 KDM4E (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL726410 0.77 KDM4E (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL2345893 0.77 PTGS2 (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL315821 0.76 ACHE (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8682848 0.74 ALDH1A1 (0.38) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL13835731 0.74 CA2 (0.35) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL2137796 0.72
SCHEMBL455383 0.72
SCHEMBL9873091 0.70 KDM4E (0.43) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL721990 0.70 MAOA (0.32) KDM4EALDH1A1MAPK1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed