SCHEMBL2598795

SCHEMBL2598795

CN(C)Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
APLNR P35414 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TAAR1 Q96RJ0 2/20 0.44
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
OPRK1 P41145 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA2 P00918 1/20 0.37
LSS P48449 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL13319989 0.79 CA2 (0.47) APLNRALDH1A1TAAR1HTTL3MBTL1
SCHEMBL5479553 0.78 APLNR (0.39) APLNRTSHRALDH1A1HTTOPRK1
SCHEMBL3060002 0.78 APLNR (0.39) APLNRTSHRALDH1A1HTTOPRK1
SCHEMBL14311280 0.75 HRH3 (0.54) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL659509 0.75 HRH3 (0.82) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL14278033 0.74 HRH3 (0.49) HRH3APLNRTSHRALDH1A1TAAR1
SCHEMBL5689764 0.74 CA2 (0.48) APLNRTSHROPRK1CA2TDP1
SCHEMBL12167936 0.73 HRH3 (0.64) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL384906 0.73 ALDH1A1 (0.64) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL13886412 0.72 ALDH1A1 (0.38) APLNRALDH1A1OPRK1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013073714-A1 INFRARED RAY SHIELDING COMPOSITION, INFRARED RAY SHIELDING FILM, PATTERN FORMING METHOD AND SOLID-STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2013-05-23 WO disclosed
EP-2572243-A1 POLYMERIZABLE COMPOSITION FUJIFILM Corporation (JP) 2013-03-27 EP disclosed
WO-2011145742-A1 POLYMERIZABLE COMPOSITION FUJIFILM CORPORATION (JP) 2011-11-24 WO disclosed