SCHEMBL9840763

SCHEMBL9840763

N[N]S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.68
PRSS1 P07477 3/20 0.68
PRSS2 P07478 3/20 0.68
PRSS3 P35030 3/20 0.68
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
HTR6 P50406 2/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6580084 0.85 F2 (0.65) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5610254 0.82 F2 (0.61) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7835222 0.79 F2 (0.57) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28464 0.78 CA2 (1.00) F2PRSS1PRSS2PRSS3CA1
SCHEMBL29529240 0.78 CA2 (1.00) F2PRSS1PRSS2PRSS3CA1
SCHEMBL547461 0.78 CA1 (0.68) F2PRSS1PRSS2PRSS3CA1
SCHEMBL29965319 0.78 CA1 (0.68) F2PRSS1PRSS2PRSS3CA1
SCHEMBL3071825 0.78 CA1 (0.68) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5608090 0.77 PRSS1 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1790289 0.77 F2 (0.56) F2PRSS1PRSS2PRSS3CA1

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-4996296-A Cromolyn binding protein in highly purifed form, and methods for the isolation thereof YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 1991-02-26 US disclosed