SCHEMBL10726223

SCHEMBL10726223

COc1cccc(S(=O)(=O)C(=CNc2ccc(Br)cn2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NFE2L2 Q16236 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
SCHEMBL10732434 0.90 NPC1 (0.47) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10717754 0.87 ALDH1A1 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10732444 0.86 MAPT (0.49) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10725744 0.86 RAB9A (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10726208 0.84 PKM (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10730546 0.83 PKM (0.44) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10731823 0.82 MAPT (0.59) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10729295 0.81 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10731309 0.80 KMT2A (0.46) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10716660 0.80 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2APKM

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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