SCHEMBL10725434

SCHEMBL10725434

Cc1nc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL10716583 0.76 MAPT (0.56) MAPTALDH1A1NPC1PKMKDM4E
SCHEMBL10730622 0.76 MAPT (0.57) MAPTALDH1A1NPC1KDM4EL3MBTL1
SCHEMBL10730985 0.76 MAPT (0.52) MAPTALDH1A1NPC1PKMHTT
SCHEMBL10716646 0.73 MAPT (0.50) MAPTNPC1PKMKDM4ERAB9A
SCHEMBL10719148 0.71 MAPT (0.55) MAPTALDH1A1PKMKDM4EKMT2A
SCHEMBL10730725 0.71 MAPT (0.48) MAPTALDH1A1NPC1PKMKDM4E
SCHEMBL10731824 0.69 PKM (0.49) MAPTALDH1A1NPC1PKMKDM4E
SCHEMBL10731823 0.69 MAPT (0.59) MAPTALDH1A1NPC1PKMKDM4E
SCHEMBL10730568 0.69 PKM (0.51) MAPTALDH1A1PKMKDM4E
SCHEMBL10730781 0.69 MAPT (0.58) MAPTALDH1A1NPC1PKMKDM4E

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-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US claimed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US disclosed
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