SCHEMBL13468019

SCHEMBL13468019

CCCC(=O)c1cccc(N(C)C2CCCC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD11B1 P28845 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EZH2 Q15910 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.35
TCF4 P15884 1/20 0.35
CTNNB1 P35222 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCC1 P33527 1/20 0.34

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
SCHEMBL18830371 0.84 ALDH1A1 (0.36) LMNAALDH1A1HSD11B1HPGDTSHR
SCHEMBL18829979 0.82 LMNA (0.47) LMNAALDH1A1HPGDTSHREZH2
SCHEMBL13279927 0.82 ALDH1A1 (0.47) LMNAALDH1A1HPGDTSHRNPC1
SCHEMBL18829835 0.81 LMNA (0.42) LMNAALDH1A1HPGDTSHREZH2
SCHEMBL15710904 0.78 ALDH1A1 (0.44) LMNAALDH1A1HPGDTSHRNPC1
SCHEMBL17804355 0.78 EZH2 (0.41) ALDH1A1HPGDTSHREZH2TCF4
SCHEMBL17804325 0.71 EZH2 (0.42) LMNAALDH1A1HPGDTSHREZH2
SCHEMBL5309095 0.70 CTNNB1 (0.46) ALDH1A1HPGDTSHRTCF4CTNNB1
SCHEMBL13280243 0.70 ALDH1A1 (0.46) LMNAALDH1A1HPGDTSHRL3MBTL1
SCHEMBL17804327 0.69 LMNA (0.40) LMNAALDH1A1HPGDTSHRNPC1

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-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed