SCHEMBL5166673

SCHEMBL5166673

C[n+]1csc2ccc3ccccc3c21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ GLO1 Q04760 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HSP90AA1 P07900 3/20 0.34
▸ HSP90AB1 P08238 3/20 0.34
▸ MPL P40238 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ HSD17B2 P37059 1/20 0.31

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
SCHEMBL4149008 0.87 GLO1 (0.34) RAD52MEN1KMT2AESR1ATM
SCHEMBL5159332 0.83 RAD52 (0.38) RAD52MEN1KMT2AESR1ATM
SCHEMBL5166670 0.78 HKDC1 (0.40) RAD52MEN1KMT2AHSP90AA1HKDC1
SCHEMBL5157599 0.78 KDM4E (0.37) RAD52MEN1KMT2AESR1ATM
SCHEMBL3396653 0.72 PTGS1 (0.43) MEN1KMT2AESR1ATMESR2
Lithium Ion SCHEMBL4365114 0.70 PTGS1 (0.60) MEN1KMT2AESR1ATMESR2
SCHEMBL15234431 0.70 PTGS1 (0.60) MEN1KMT2AESR1ATMESR2
Potassium Ion SCHEMBL10353844 0.70 PTGS1 (0.60) MEN1KMT2AESR1ATMESR2
Silver SCHEMBL5705127 0.70 PTGS1 (0.60) MEN1KMT2AESR1ATMESR2
SCHEMBL7760538 0.70 PTGS1 (0.60) MEN1KMT2AESR1ATMESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773289-A1 BLEACHING AGENTS COMPRISING CARBONIC ACID DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 — — EP disclosed
EP-1771145-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-11 — — EP disclosed
EP-1761312-A1 AGENTS FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-03-14 — — EP disclosed
WO-2006018089-A1 OXIDATION COLORANTS COMPRISING DIAMINOBENZENE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-23 — — WO disclosed
WO-2005123019-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS HENKEL KOMMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 — — WO disclosed
WO-2005123021-A1 BLEACHING AGENTS COMPRISING CARBONIC ACID DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 — — WO disclosed
WO-2005123017-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 — — WO disclosed
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