SCHEMBL28936690

SCHEMBL28936690

NS(=O)(=O)c1ccc(NNCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.71
CA1 P00915 15/20 0.71
CA12 O43570 13/20 0.71
CA9 Q16790 12/20 0.71
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
CA4 P22748 3/20 0.56
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
CA14 Q9ULX7 2/20 0.55
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.52

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
Benzylsulfamide SCHEMBL49548 0.83 CA2 (1.00) CA2CA1CA12CA9ALDH1A1
Benzylsulfamide SCHEMBL3648127 0.81 CA1 (0.97) CA2CA1CA12CA9ALDH1A1
SCHEMBL28884752 0.80 CA2 (0.67) CA2CA1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL11027004 0.78 CA2 (0.65) CA2CA1CA12CA9ALDH1A1
SCHEMBL2425837 0.78 TDP1 (0.52) CA2CA12ALDH1A1HPGDCA7
Benzenesulfonamide SCHEMBL29119602 0.77 CA2 (0.86) CA2CA1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL7345545 0.76 CA2 (0.68) CA2CA1CA12CA9CA4
SCHEMBL28102126 0.75 CA2 (0.70) CA2CA1CA12CA9CA4
SCHEMBL672160 0.75 CA2 (1.00) CA2CA1CA12CA9ALDH1A1
Benzylsulfamide SCHEMBL28249531 0.75 CA1 (0.82) CA2CA1CA12CA9ALDH1A1

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
CN-105378075-B Histidyl-TRNA synthetase-FC conjugates ATYR 医药公司 2022-04-05 CN disclosed