SCHEMBL17970366

SCHEMBL17970366

CC(C)n1ccc2c(C(=O)N=O)cc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL17970371 0.84 EZH2 (0.35) EZH2MGLLP2RX3P2RX2
SCHEMBL2594898 0.84 NR4A1 (0.38) EZH2ALDH1A1MGLL
SCHEMBL17970581 0.83 EZH2 (0.35) EZH2ALDH1A1MGLLP2RX3P2RX2
SCHEMBL2591110 0.81 MAPT (0.40) EZH2ALDH1A1HTT
SCHEMBL26265512 0.78 EZH2 (0.46) EZH2MGLL
SCHEMBL19621047 0.77 LMNA (0.44) EZH2ALDH1A1LMNA
SCHEMBL17970374 0.74 KDM4E (0.34) ALDH1A1LMNAHTT
SCHEMBL17970567 0.73 ALDH1A1 (0.34) ALDH1A1LMNAHTT
SCHEMBL17970560 0.72 KDM4E (0.32) ALDH1A1LMNAHTT
SCHEMBL18676860 0.72 GABRA1 (0.35)

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-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed