SCHEMBL2863772

SCHEMBL2863772

CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
KMT2A Q03164 5/20 0.85
HTT P42858 1/20 0.82
ALDH1A1 P00352 6/20 0.66
LMNA P02545 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 4/20 0.58
P4HB P07237 2/20 0.58
PKM P14618 2/20 0.58
KDM4E B2RXH2 1/20 0.57
SPR P35270 1/20 0.52
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL6519781 0.87 TSHR (0.77) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL25946349 0.85 ALDH1A1 (0.74) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL2877355 0.84 ALDH1A1 (0.76) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL25947454 0.81 ALDH1A1 (0.67) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL25946347 0.80 ALDH1A1 (1.00) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL25947449 0.79 ALDH1A1 (0.69) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL13953805 0.78 TSHR (0.64) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL13953825 0.78 NPSR1 (0.72) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL25946348 0.78 ALDH1A1 (0.66) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL2857744 0.77 KMT2A (0.70) TSHRKMT2AHTTALDH1A1LMNA

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