SCHEMBL10728566

SCHEMBL10728566

O=[N+]([O-])c1cccc(S(=O)(=O)C(=CNc2ccc(Br)cn2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ENPP3 O14638 1/20 0.45
▸ ENPP1 P22413 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL10731309 0.97 KMT2A (0.46) ALDH1A1KDM4EKMT2ATDP1ENPP3
SCHEMBL10717754 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1MAPTMAPK1
SCHEMBL10730985 0.79 MAPT (0.52) ALDH1A1KMT2ATDP1NPC1MAPT
SCHEMBL10732444 0.79 MAPT (0.49) ALDH1A1KDM4EKMT2ANPC1MAPT
SCHEMBL10726208 0.79 PKM (0.52) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL10730945 0.77 PKM (0.58) ALDH1A1KDM4EKMT2ANPC1MAPT
SCHEMBL10731823 0.77 MAPT (0.59) ALDH1A1KDM4EKMT2ANPC1MAPT
SCHEMBL10726223 0.77 NPC1 (0.49) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL10729295 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ANPC1MAPT
SCHEMBL10727222 0.77 MAPT (0.50) ALDH1A1KDM4EKMT2ANPC1MAPT

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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