SCHEMBL4043399

SCHEMBL4043399

COC(=O)/C=C/c1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.38
MAPK1 P28482 1/20 0.37
HRH2 P25021 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL4037785 1.00 HRH4 (0.38) HRH4MAPK1HRH2MAPTKDM4E
SCHEMBL6333988 0.90 KDM4E (0.39) MAPK1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL4036049 0.88 HRH4 (0.39) HRH4MAPK1HRH2MAPTKDM4E
SCHEMBL4036046 0.88 HRH4 (0.39) HRH4MAPK1HRH2MAPTKDM4E
SCHEMBL4046001 0.87 KDM4E (0.40) MAPK1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4038718 0.87 KDM4E (0.40) MAPK1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4037837 0.75 GAA (0.39) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL4037833 0.75 GAA (0.39) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL6342108 0.75 CA12 (0.39) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4035859 0.73 ALOX5 (0.39) HRH4MAPK1HRH2MAPTKDM4E

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-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed