SCHEMBL7974499

SCHEMBL7974499

O=S(=O)(c1cccc2ccccc12)C(Br)(Br)CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
HTR6 P50406 2/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4620603 0.81 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL31603816 0.81 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL855323 0.77 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL3241709 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL7974502 0.73 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL6113594 0.72 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL29965319 0.72 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL3071825 0.72 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL547461 0.72 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL29130817 0.71 CA1 (0.60) CA1CA2CA9F2PRSS1

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-6333147-B1 PHOTOTHERMOGRAPHIC MATERIAL, PREVENTS COATING STREAKS FUJI PHOTO FILM CO., LTD. (JP) 2001-12-25 US disclosed