Ether

Ether

SCHEMBL2857743

CCOCC.COc1cc2c(C(=O)O)c(CSc3ccccc3)n(C)c2cc1Br

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
ALDH1A1 P00352 6/20 0.70
MEN1 O00255 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
ALOX5 P09917 4/20 0.52
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
GAA P10253 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL2857744 0.88 KMT2A (0.70) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL2864474 0.83 ALDH1A1 (0.61) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL27600510 0.81 ALDH1A1 (0.57) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL21496376 0.79 ALDH1A1 (0.82) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL28726997 0.78 KMT2A (0.69) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21494140 0.78 ALDH1A1 (0.80) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL6527378 0.78 KMT2A (0.62) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL4445035 0.76 ALOX5 (0.74) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL31693208 0.74 L3MBTL1 (0.59) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL6524004 0.74 KMT2A (0.60) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1

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-2213660-A1 5-SUBSTITUTED INDOL-3-CARBOXYLIC ACID DERIVATIVES EXHIBITING ANTIVIRAL ACTIVITY A METHOD FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoy Otvetstvennostju "Binatekh" (RU) 2010-08-04 EP disclosed