SCHEMBL3986290

SCHEMBL3986290

[CH2]COC(F)(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KIF11 P52732 5/20 0.38
PTPN1 P18031 2/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 3/20 0.33
TDO2 P48775 1/20 0.33
KCNN4 O15554 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL10268267 0.77 ALDH1A1 (0.44) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL5735020 0.76 KIF11 (0.56) TSHRALDH1A1KIF11MAPK1KCNN4
SCHEMBL29090083 0.73 MAPK1 (0.44) TSHRALDH1A1KIF11MAPK1KCNN4
SCHEMBL3988998 0.73 TSHR (0.44) TSHRALDH1A1KIF11MAPK1KCNN4
SCHEMBL2867593 0.72 TSHR (0.55) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL28318379 0.70 LTA4H (0.44) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL6988143 0.69 TSHR (0.50) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL914885 0.69 ALDH1A1 (0.50) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL17763368 0.69 TSHR (0.50) TSHRALDH1A1KIF11PTPN1MAPK1
SCHEMBL8589920 0.67 TSHR (0.48) TSHRALDH1A1KIF11PTPN1MAPK1

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-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed