SCHEMBL10044945

SCHEMBL10044945

COCCOCCOc1c(C)cc(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
CYP1A2 P05177 1/20 0.38
TNFRSF1A P19438 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL18639409 0.90 MAPK1 (0.47) L3MBTL1MAPTLMNAKDM4EMAPK1
SCHEMBL10044942 0.88 BRD4 (0.48) L3MBTL1MAPTLMNAKDM4EMAPK1
SCHEMBL15180055 0.80 CA1 (0.41) L3MBTL1MAPTLMNAKDM4EMAPK1
SCHEMBL10044605 0.80 BRD4 (0.55) L3MBTL1MAPTMAPK1BRD4CYP1A2
SCHEMBL18292053 0.78 MAPK1 (0.58) MAPK1ALDH1A1BRD4CYP1A2TNFRSF1A
SCHEMBL15430852 0.77 L3MBTL1 (0.56) L3MBTL1MAPTLMNAKDM4EMAPK1
SCHEMBL10348410 0.75 MAPT (0.51) L3MBTL1MAPTLMNAKDM4EMEN1
SCHEMBL10348444 0.75 MAPT (0.51) L3MBTL1MAPTLMNAKDM4EMEN1
SCHEMBL10348443 0.75 MAPT (0.51) L3MBTL1MAPTLMNAKDM4EMEN1
SCHEMBL10349008 0.75 MAPT (0.51) L3MBTL1MAPTLMNAKDM4EMEN1

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
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO disclosed