SCHEMBL17804325

SCHEMBL17804325

CCCC(=O)c1cc(Br)cc(N(C)C2CCCC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 5/20 0.42
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 4/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRK1 P41145 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
ABCB11 O95342 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL18830027 0.83 EZH2 (0.43) EZH2NPSR1LMNAALDH1A1KMT2A
SCHEMBL13279974 0.80 OPRK1 (0.47) EZH2NPSR1LMNAOPRK1
SCHEMBL17804350 0.76 EZH2 (0.55) EZH2KMT2AMEN1NPC1PDE4A
SCHEMBL17804355 0.75 EZH2 (0.41) EZH2ALDH1A1TSHRHPGDALOX15
SCHEMBL18829848 0.71 EZH2 (0.54) EZH2NPSR1LMNAALDH1A1KMT2A
SCHEMBL13280553 0.71 EZH2 (0.54) EZH2NPSR1ALDH1A1HSD17B10OPRK1
SCHEMBL13468019 0.71 LMNA (0.39) EZH2NPSR1LMNAALDH1A1NPC1
SCHEMBL13280798 0.70 EZH2 (0.53) EZH2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL18830052 0.70 ALDH1A1 (0.40) EZH2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL13280647 0.70 GAA (0.44) NPSR1ALDH1A1KMT2AMEN1NPC1

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-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed