SCHEMBL8848749

SCHEMBL8848749

O=S(=O)(O)c1ccc(NNc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
NT5E P21589 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
TIMP3 P35625 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SNCA P37840 2/20 0.46
CYP2D6 P10635 2/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 2/20 0.44
CA5A P35218 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL28968591 0.91 TSHR (0.62) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL17715464 0.89 TSHR (0.75) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL6939276 0.86 LMNA (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL11721296 0.86 LMNA (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL11715148 0.86 LMNA (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL9154737 0.84 SNCA (0.60) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL18900607 0.84 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL150334 0.83 LMNA (0.77) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL10725236 0.83 LMNA (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL14445986 0.82 LMNA (0.54) LMNAALDH1A1TSHRNT5ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616694-A DISAZO DYES; COLORING CELLULOSE AND INK JET PRINTING ZENECA LIMITED (GB) 1997-04-01 US disclosed
US-5473053-A Useful as colorants for inks, used in ink jet printing; light and water fastness ZENECA LIMITED (GB) 1995-12-05 US disclosed