SCHEMBL2852930

SCHEMBL2852930

CCOC(=O)c1c(CBr)n(C)c2cc(Br)c(OCC)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 5/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.58
MAPT P10636 3/20 0.57
P4HB P07237 1/20 0.57
PKM P14618 2/20 0.56
GPR55 Q9Y2T6 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
RAD52 P43351 1/20 0.49
LMNA P02545 1/20 0.48
SPR P35270 1/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2877355 0.91 ALDH1A1 (0.76) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL9585968 0.88 KMT2A (0.70) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL6521808 0.88 KMT2A (0.53) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25947449 0.86 ALDH1A1 (0.69) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25946421 0.84 ALDH1A1 (0.54) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25947070 0.84 TSHR (0.58) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25946349 0.82 ALDH1A1 (0.74) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25947796 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL15497247 0.80 KMT2A (0.71) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL25941803 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRHTTMAPT

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