SCHEMBL28019284

SCHEMBL28019284

CNC(=O)C1CC1c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 3/20 0.39
SLC6A2 P23975 2/20 0.39
GRM4 Q14833 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1586594 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6130264 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL15938458 0.79 FFAR1 (0.45) ALDH1A1CYP2C19
SCHEMBL28820132 0.77 HTR2C (0.39) ALDH1A1
SCHEMBL28019820 0.75 FAAH (0.57) HDAC4FAAHALDH1A1CYP1A2CYP3A4
SCHEMBL6339509 0.74 HDAC4 (0.71) HDAC4ALDH1A1
SCHEMBL16639029 0.74 HDAC4 (0.71) HDAC4ALDH1A1
SCHEMBL15761136 0.72 EPHX2 (0.41) ALDH1A1
SCHEMBL17134246 0.71 HTR2C (0.36) ALDH1A1
SCHEMBL17134248 0.71 HTR2C (0.36) ALDH1A1

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-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed