SCHEMBL10725939

SCHEMBL10725939

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPT P10636 2/20 0.46
▸ CCR6 P51684 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL10729295 0.83 ALDH1A1 (0.45) PKMRAB9ANPC1MAPTALDH1A1
SCHEMBL10717754 0.80 ALDH1A1 (0.52) PKMRAB9ANPC1MAPTALDH1A1
SCHEMBL10726196 0.80 PKM (0.52) PKMMAPTALDH1A1SMN1; SMN2PTGS1
SCHEMBL10726719 0.80 PKM (0.52) PKMRAB9ANPC1MAPTALDH1A1
SCHEMBL10730568 0.79 PKM (0.51) PKMMAPTALDH1A1KDM4E
SCHEMBL10729039 0.78 PKM (0.56) PKMMAPTCCR6ALDH1A1SCN9A
SCHEMBL10731824 0.77 PKM (0.49) PKMRAB9ANPC1MAPTALDH1A1
SCHEMBL10716578 0.77 PKM (0.49) PKMMAPT
SCHEMBL10731727 0.77 PKM (0.49) PKMRAB9AMAPTALDH1A1LMNA
SCHEMBL10725561 0.77 PKM (0.49) PKMMAPTALDH1A1KDM4EHTT

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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