SCHEMBL3411697

SCHEMBL3411697

Cc1cc(C)c(SC#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
ALDH1A1 P00352 8/20 0.36
MAPT P10636 6/20 0.36
HTT P42858 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
USP5 P45974 1/20 0.32
USP4 Q13107 1/20 0.32
USP7 Q93009 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
GFER P55789 1/20 0.31

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
SCHEMBL16707448 0.83 ALDH1A1 (0.52) ARALDH1A1MAPTHTTHPGD
SCHEMBL4677321 0.81 CYP3A4 (0.41) ARALDH1A1MAPTHTTHPGD
SCHEMBL7224326 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL16707520 0.78 AR (0.31) ARALDH1A1LMNA
SCHEMBL16707446 0.76 ALDH1A1 (0.38) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL21474317 0.76 THRB (0.31) ALDH1A1MAPTHTTRAPGEF4USP2
SCHEMBL21577619 0.76 ALDH1A1 (0.42) ARALDH1A1
SCHEMBL16707508 0.75 ALDH1A1 (0.40) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL16707458 0.75 TSHR (0.41) ARALDH1A1MAPTHTTTSHR
SCHEMBL16707447 0.75 USP2 (0.38) ALDH1A1MAPTHTTRAPGEF4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107235875-B A method of synthesis 1,2,2- trifluoro-ethylene sulfide compound 福州大学 2019-02-22 CN disclosed
CN-107235875-A A kind of method for synthesizing 1,2,2 trifluoro-ethylene sulfide compounds 福州大学 2017-10-10 CN disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
EP-1588174-A4 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX INC (US) 2007-04-25 EP disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
EP-1588174-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS Authentix, Inc. (US) 2005-10-26 EP disclosed
WO-2004068113-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2004-08-12 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed