SCHEMBL5025282

SCHEMBL5025282

CCCCCCC1=CCc2ccccc2[CH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.40
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
KCNH2 Q12809 3/20 0.36
GPR3 P46089 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LPL P06858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5065423 0.93 CYP2D6 (0.34) LIPGCYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL5028543 0.82 LIPG (0.36) LIPGCYP2D6DRD2SLC6A2HTR2A
SCHEMBL2811189 0.79 CA1 (0.38) CYP2D6ALDH1A1CYP1A2CYP2C19DRD2
SCHEMBL3681427 0.74 LIPG (0.46) LIPGALDH1A1SLC6A2HTR2AHTR2C
SCHEMBL216968 0.74 LIPG (0.46) LIPGALDH1A1SLC6A2HTR2AHTR2C
SCHEMBL218346 0.74 LIPG (0.46) LIPGALDH1A1SLC6A2HTR2AHTR2C
SCHEMBL3684071 0.74 LIPG (0.46) LIPGALDH1A1SLC6A2HTR2AHTR2C
SCHEMBL3685992 0.72 LIPG (0.43) LIPGALDH1A1SLC6A2HTR2CSLC6A4
Indene SCHEMBL22639000 0.69 CYP2D6 (0.43) LIPGCYP2D6ALDH1A1CYP1A2CYP2C19
Indene SCHEMBL20636898 0.68 CA1 (0.44) CYP2D6ALDH1A1CYP1A2CYP2C19SETD7

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-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 EP disclosed