SCHEMBL10730546

SCHEMBL10730546

COc1ccccc1S(=O)(=O)C(=CNc1ccc(Br)cn1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.44
▸ ATM Q13315 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.36

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
SCHEMBL10717754 0.87 ALDH1A1 (0.52) PKMATMALDH1A1LMNANPC1
SCHEMBL10732657 0.86 PKM (0.47) PKMATMALDH1A1LMNANPC1
SCHEMBL10732434 0.86 NPC1 (0.47) PKMATMALDH1A1LMNANPC1
SCHEMBL10732117 0.84 PKM (0.52) PKMATMALDH1A1LMNANPC1
SCHEMBL10726223 0.83 NPC1 (0.49) PKMALDH1A1LMNANPC1RAB9A
SCHEMBL10730945 0.82 PKM (0.58) PKMATMALDH1A1LMNANPC1
SCHEMBL10731823 0.82 MAPT (0.59) PKMATMALDH1A1LMNANPC1
SCHEMBL10725744 0.81 RAB9A (0.51) ATMALDH1A1NPC1RAB9AMAPT
SCHEMBL10716660 0.80 ALDH1A1 (0.49) PKMATMALDH1A1LMNANPC1
SCHEMBL10726208 0.80 PKM (0.52) PKMATMALDH1A1LMNANPC1

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
Send feedback