SCHEMBL10468809

SCHEMBL10468809

CCC1(COc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ TSHR P16473 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ PKM P14618 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SQSTM1 Q13501 1/20 0.30

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
SCHEMBL10466739 0.85 PKM (0.32) CA1CA2CA9CA12CA7
SCHEMBL14805176 0.78 CA12 (0.54) CA1CA2CA9CA12CA7
SCHEMBL19874475 0.72 CA12 (0.44) CA1CA2CA9CA12CA7
SCHEMBL19874527 0.72 CA12 (0.44) CA1CA2CA9CA12CA7
SCHEMBL14805173 0.72 CA1 (0.35) CA1CA2CA9CA12CA7
SCHEMBL10469143 0.72 GPR174 (0.42) CA1CA2CA9CA12CA7
SCHEMBL14805167 0.72 CA12 (0.34) CA1CA2CA9CA12CA7
SCHEMBL14805165 0.72 CA12 (0.38) CA1CA2CA9CA12CA7
SCHEMBL18088493 0.72 PARP15 (0.45) GAAALDH1A1PKMLMNA
SCHEMBL14805166 0.71 PKM (0.35) CA1CA2CA9CA12CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4897144-A Foe silaceous material, metals, alloys, and epoxy reactive polymers HERCULES INCORPORATED (US) 1990-01-30 — — US disclosed
EP-0308860-A2 A new epoxy-azide HERCULES INCORPORATED (US) 1989-03-29 — — EP disclosed
US-4772733-A BONDING AGENT FOR POLYMER AND OTHER MATERIALS HERCULES INCORPORATED (US) 1988-09-20 — — US disclosed
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