SCHEMBL6461673

SCHEMBL6461673

O=S(=O)(C(F)=C(C(F)F)C(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD11B1 P28845 4/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL777950 0.73 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KMT2AHSD11B1
SCHEMBL9397393 0.71 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL5865848 0.68 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL5132709 0.68 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL6468312 0.67 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1KMT2AHSD11B1
SCHEMBL6460066 0.67 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1KMT2AHSD11B1
SCHEMBL778407 0.65 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL9181571 0.65 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL9397394 0.65 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KMT2AHSD11B1
SCHEMBL28975816 0.64 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1KMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 — — US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 — — EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 — — EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 — — WO disclosed
Send feedback