SCHEMBL27713337

SCHEMBL27713337

CC(C)C(=O)Oc1cn(S(=O)(=O)c2ccccc2)c2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.48
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
PTGDR Q13258 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL27733781 0.88 KLK7 (0.47) HTR6HTR7MEN1KMT2ALMNA
SCHEMBL27713327 0.87 MEN1 (0.43) HTR6HTR7PTGDR2MEN1KMT2A
SCHEMBL27713331 0.87 HTR6 (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713443 0.87 AKR1C3 (0.48) HTR6HTR7MEN1KMT2ALMNA
SCHEMBL28770869 0.86 LMNA (0.56) HTR6HTR7MEN1KMT2ALMNA
SCHEMBL27713312 0.86 SMN1; SMN2 (0.49) HTR6HTR7MEN1KMT2ALMNA
SCHEMBL27733689 0.85 ELANE (0.47) HTR6HTR7MEN1KMT2ALMNA
SCHEMBL27733870 0.84 PPARG (0.52) HTR6HTR2AHTR7MEN1KMT2A
SCHEMBL27713295 0.84 KMT2A (0.40) HTR6HTR2AMEN1KMT2ALMNA
SCHEMBL27733649 0.83 HTR6 (0.42) HTR6MEN1KMT2ALMNASMN1; SMN2

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed