SCHEMBL8916600

SCHEMBL8916600

O=S(=O)(O)c1ccc(NF)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NT5E P21589 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
TIMP3 P35625 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SNCA P37840 2/20 0.43
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL8848749 0.80 LMNA (0.56) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL9154737 0.80 SNCA (0.60) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL150334 0.79 LMNA (0.77) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL14445986 0.78 LMNA (0.54) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL6939276 0.77 LMNA (0.48) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL11543686 0.76 LMNA (0.52) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL35747 0.76 ALDH1A1 (0.61) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL3377432 0.76 LMNA (0.52) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL11591423 0.76 LMNA (0.52) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL34520 0.76 CA1 (0.64) LMNATSHRALDH1A1NT5ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610298-A Water-soluble anthraquinone compounds, preparation thereof and use thereof as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed