SCHEMBL10726719

SCHEMBL10726719

O=S(=O)(C(=CNc1ccc(I)cn1)S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.52
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 3/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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 0.83 ALDH1A1 (0.52) PKMMAPTALDH1A1POLBLMNA
SCHEMBL10726196 0.83 PKM (0.52) PKMMAPTALDH1A1POLBLMNA
SCHEMBL10730568 0.82 PKM (0.51) PKMMAPTALDH1A1POLBABCC9
SCHEMBL10729039 0.81 PKM (0.56) PKMMAPTALDH1A1
SCHEMBL10716578 0.80 PKM (0.49) PKMMAPTHDAC3HDAC4HDAC1
SCHEMBL10731824 0.80 PKM (0.49) PKMMAPTALDH1A1POLBRAB9A
SCHEMBL10725561 0.80 PKM (0.49) PKMMAPTALDH1A1POLBLMNA
SCHEMBL10731727 0.80 PKM (0.49) PKMMAPTALDH1A1POLBLMNA
SCHEMBL10725939 0.80 PKM (0.49) PKMMAPTALDH1A1LMNARAB9A
SCHEMBL10730881 0.80 MAPT (0.54) PKMMAPTALDH1A1POLBLMNA

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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