SCHEMBL8772779

SCHEMBL8772779

Nc1cc(N)c(-c2ccccc2S(=O)(=O)O)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
GAA P10253 3/20 0.41
PGAM1 P18669 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NSD2 O96028 2/20 0.38
CASP6 P55212 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL458284 0.82 SMN1; SMN2 (0.48) TTRGAAPGAM1CA12CA1
SCHEMBL27324940 0.80 ELANE (0.44) TTRGAAPGAM1ALDH1A1TDP1
SCHEMBL28837581 0.80 SMN1; SMN2 (0.46) TTRGAAPGAM1CA12CA1
Hydrochloric Acid SCHEMBL27323561 0.78 ELANE (0.43) TTRGAAPGAM1ALDH1A1TDP1
SCHEMBL19391945 0.78 ALDH1A1 (0.53) TTRGAAPGAM1CYP2C9ALDH1A1
SCHEMBL28255760 0.76 TTR (0.53) TTRGAAPGAM1CA12CA1
SCHEMBL28734907 0.76 TTR (0.62) TTRGAACA12CA1CA2
SCHEMBL2593808 0.75 PGAM1 (0.40) TTRPGAM1CA1CA2NSD2
SCHEMBL30011676 0.74 TTR (0.55) TTRGAAPGAM1CA12CA1
SCHEMBL4537690 0.74 DAPK1 (0.43) TTRGAAPGAM1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561847-B1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES LASTRA SPA (IT) 1997-08-27 EP disclosed
EP-0561847-A1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES. LASTRA SPA (IT) 1993-09-29 EP disclosed
WO-1992010523-A1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES LASTRA S.P.A. (IT) 1992-06-25 WO disclosed