SCHEMBL17804327

SCHEMBL17804327

C=Cc1c(C(C)=O)cccc1N(C)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.35
ABCC1 P33527 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
IDO1 P14902 1/20 0.34
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28165649 0.89 ALDH1A1 (0.43) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL13280139 0.86 KMT2A (0.43) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL18830371 0.85 ALDH1A1 (0.36) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL18829979 0.80 LMNA (0.47) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL13467799 0.72 EZH2 (0.64)
SCHEMBL13279927 0.71 ALDH1A1 (0.47) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL13280243 0.70 ALDH1A1 (0.46) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL18829835 0.70 LMNA (0.42) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL13468019 0.69 LMNA (0.39) LMNATSHRHPGDALDH1A1MAPT
SCHEMBL28814162 0.69 KMT2A (0.54) 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 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