SCHEMBL18829979

SCHEMBL18829979

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.39
IDO1 P14902 1/20 0.38
ABCC1 P33527 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EZH2 Q15910 1/20 0.36
ATM Q13315 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL13279927 0.88 ALDH1A1 (0.47) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL18829835 0.87 LMNA (0.42) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL15710904 0.84 ALDH1A1 (0.44) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL13468019 0.82 LMNA (0.39) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL17804327 0.80 LMNA (0.40) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL18829848 0.77 EZH2 (0.54) LMNAALDH1A1MAPTNPSR1GAA
SCHEMBL18830367 0.77 EZH2 (0.40) LMNAALDH1A1MAPTNPSR1GAA
SCHEMBL18829845 0.75 ALDH1A1 (0.41) TSHRHPGDALDH1A1MAPTNPSR1
SCHEMBL13468049 0.75 EZH2 (0.39) TSHRHPGDALDH1A1MAPTNPSR1
SCHEMBL13280243 0.75 ALDH1A1 (0.46) LMNATSHRHPGDALDH1A1MAPT

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-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed