SCHEMBL2857744

SCHEMBL2857744

CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OC)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
ALDH1A1 P00352 5/20 0.70
MEN1 O00255 3/20 0.70
ALOX5 P09917 6/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
TSHR P16473 1/20 0.62
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.60
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
CHRM2 P08172 1/20 0.59
GAA P10253 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59

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
SCHEMBL28726997 0.90 KMT2A (0.69) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
Ether SCHEMBL2857743 0.88 KMT2A (0.70) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL4445035 0.88 ALOX5 (0.74) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL2877355 0.83 ALDH1A1 (0.76) KMT2AALDH1A1MEN1ALOX5TSHR
SCHEMBL30762343 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL29131251 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL25946349 0.82 ALDH1A1 (0.74) KMT2AALDH1A1MEN1ALOX5TSHR
SCHEMBL28261242 0.82 ALOX5 (0.78) KMT2AALDH1A1MEN1ALOX5SMN1; SMN2
SCHEMBL28750833 0.82 ALOX5 (0.76) KMT2AALDH1A1MEN1ALOX5POLB
SCHEMBL28259795 0.81 ALOX5 (1.00) KMT2AALDH1A1MEN1ALOX5SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213660-B1 5-SUBSTITUTED INDOL-3-CARBOXYLIC ACID DERIVATIVES EXHIBITING ANTIVIRAL ACTIVITY A METHOD FOR THE PRODUCTION AND USE THEREOF RES AND DEV COMPANY MEDBIOPHARM LTD (RU) 2012-12-12 EP disclosed
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