SCHEMBL28080843

SCHEMBL28080843

N#Cc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c2C(=O)C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
POLB P06746 3/20 0.43
CYP19A1 P11511 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AR P10275 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PGGT1B P53609 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL28080836 0.88 F2RL3 (0.39) LMNAALDH1A1AR
SCHEMBL28080903 0.85 ALDH1A1 (0.43) CYP11B1CYP11B2POLBLMNAHTT
SCHEMBL28080966 0.81 GFER (0.46) CYP11B1CYP11B2POLBLMNAALDH1A1
SCHEMBL28080828 0.81 CCR2 (0.46) HTTFAAH
SCHEMBL28080894 0.79 ALDH1A1 (0.47) LMNAHTTKDM4EALDH1A1MAPT
SCHEMBL28080891 0.77 ALDH1A1 (0.44) LMNAKDM4EALDH1A1MAPTNPSR1
SCHEMBL28831826 0.74 AR (0.41) POLBLMNAKDM4EALDH1A1AR
SCHEMBL27962502 0.74 HDAC4 (0.37) HDAC8HDAC6
SCHEMBL28080830 0.74 TUBB4A (0.46) POLBALDH1A1
SCHEMBL28080840 0.73 COMT (0.41) MAPTHDAC8HDAC6

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
CN-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed