SCHEMBL1011237

SCHEMBL1011237

CCN(Cc1cc(C(F)(F)F)ccc1Oc1c[c]ccc1)S(=O)(=O)c1ccc(Nc2cccc(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
RORC P51449 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 2/20 0.34

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
SCHEMBL1011318 0.84 PTGDR2 (0.46) MAPTSMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL1944730 0.83 MAPT (0.44) MAPTSMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL1079242 0.74 SLC6A4 (0.41) SMN1; SMN2HTTLMNASLC6A4SLC6A2
SCHEMBL1943761 0.73 PTGDR2 (0.46) MAPTSMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL1009501 0.72 PTGDR2 (0.53) MAPTSMN1; SMN2HTTNPSR1PTGDR2
SCHEMBL1066105 0.71 PTGDR2 (0.39) MAPTSMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL1943429 0.70 PTGDR2 (0.44) PTGDR2SCN9A
SCHEMBL1944279 0.69 BMP1 (0.47) MAPTSMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL1009651 0.69 KCNQ3 (0.46) MAPTSMN1; SMN2HTTNPSR1LMNA
SCHEMBL1062726 0.69 PTGDR2 (0.48) MAPTSMN1; SMN2HTTNPSR1PTGDR2

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
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed