SCHEMBL2984907

SCHEMBL2984907

Nc1ccc(S)c(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.38
KIF11 P52732 4/20 0.36
KDM4E B2RXH2 3/20 0.35
AR P10275 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
SRC P12931 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL3533535 0.89 TSHR (0.64) TSHRGAAGLAPOLBMAPK1
SCHEMBL29140660 0.78 TSHR (0.50) TSHRGAAGLAPOLBMAPK1
SCHEMBL2140623 0.78 TSHR (0.68) TSHRGAAGLAPOLBMAPK1
SCHEMBL29140652 0.74 TSHR (0.45) TSHRGAAGLAPOLBMAPK1
SCHEMBL2141889 0.72 TSHR (0.53) TSHRGAAGLAPOLBMAPK1
SCHEMBL9198448 0.71 ALDH1A1 (0.48) TSHRGAAGLAPOLBMAPK1
SCHEMBL15320326 0.71 AR (0.45) TSHRGAAGLAPOLBKDM4E
SCHEMBL29420085 0.70 TSHR (0.70) TSHRGAAGLAPOLBMAPK1
SCHEMBL827884 0.70 TSHR (0.70) TSHRGAAGLAPOLBMAPK1
SCHEMBL27524554 0.69 CA2 (0.43) TSHRGAAGLAPOLBKDM4E

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
US-20100173114-A1 OPTICAL RECORDING MEDIUM AND AZACYANINE DYE MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-07-08 US disclosed
EP-1967378-A1 OPTICAL RECORDING MEDIUM AND AZACYANINE DYE Mitsubishi Kagaku Media Co., Ltd. (JP) 2008-09-10 EP disclosed