SCHEMBL10730985

SCHEMBL10730985

O=[N+]([O-])c1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ LMNA P02545 1/20 0.52
▸ AGTR1 P30556 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ PKM P14618 3/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 2/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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 0.84 KMT2A (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10730568 0.81 PKM (0.51) MAPTPOLBPKMGAAALDH1A1
SCHEMBL10728566 0.79 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10717754 0.79 ALDH1A1 (0.52) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10726719 0.79 PKM (0.52) MAPTLMNAPOLBPKMNPC1
SCHEMBL10726196 0.79 PKM (0.52) MAPTLMNASMN1; SMN2POLBPKM
SCHEMBL10731824 0.79 PKM (0.49) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL10726331 0.77 LMNA (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10729039 0.77 PKM (0.56) MAPTMEN1KMT2APKMCCR6
SCHEMBL10731727 0.76 PKM (0.49) MAPTLMNAPOLBPKMALDH1A1

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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