Sugi Predict

Sugi Predict / Compounds / SCHEMBL10823596

SCHEMBL10823596

SCHEMBL10823596

O=C(Nc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)c1)Nc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ ALOX12 P18054 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10823769 0.91 PRMT1 (0.54) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL10823374 0.85 IDH1 (0.48) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL10823447 0.82 PRMT1 (0.54) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10823575 0.82 MEN1 (0.48) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL11337363 0.82 TIMP3 (0.61) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL10823404 0.82 MEN1 (0.48) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL10823421 0.82 MEN1 (0.48) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL10823561 0.82 PRMT1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10823686 0.82 IDH1 (0.52) PRMT1
SCHEMBL10823472 0.81 PTGES (0.46) TRPV1MEN1KMT2ALMNAMAPT

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-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 — — US disclosed
Send feedback