SCHEMBL9302174

SCHEMBL9302174

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 2/20 0.60
KMT2A Q03164 6/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
MEN1 O00255 3/20 0.53
DDX3X O00571 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
EDNRA P25101 1/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
PGR P06401 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL20549152 0.84 MAPT (0.71) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL7079113 0.81 ALDH1A1 (0.74) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL19332655 0.79 KDM4E (0.49) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL29227834 0.78 MAPT (0.65) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL19332591 0.78 L3MBTL1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL30939451 0.78 MAPT (0.65) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL1094138 0.77 POLB (0.55) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL6292016 0.76 SLC40A1 (0.55) KMT2ACA2MEN1EDNRAGAA
SCHEMBL17978504 0.76 ALDH1A1 (0.70) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL30939468 0.76 MAPT (0.59) MAPTALDH1A1KDM4ELMNAKMT2A

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-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed