SCHEMBL9256183

SCHEMBL9256183

CS(=O)(=O)O.NCC(=O)NCC(=O)OO

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
TERT O14746 1/20 0.34
TET2 Q6N021 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
AOC3 Q16853 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
SCHEMBL9512043 0.90 RECQL (0.40) RECQLGAACA2CA1TERT
SCHEMBL851945 0.77 RECQL (0.61) RECQLGAACA2CA1TET2
Hydrochloric Acid SCHEMBL919797 0.75 RECQL (0.59) RECQLGAACA2CA1TET2
SCHEMBL27646874 0.74 RECQL (0.41) RECQLGAACA2CA1TERT
SCHEMBL30046593 0.74 RECQL (0.57) RECQLGAACA2CA1TERT
SCHEMBL27706876 0.73 RECQL (0.40) RECQLGAACA2CA1TERT
SCHEMBL18820682 0.72 RECQL (0.45) RECQLGAATERTTET2KDM4E
Hydrochloric Acid SCHEMBL13837362 0.72 RECQL (0.55) RECQLGAACA2CA1TERT
SCHEMBL2198462 0.72 GAA (0.63) RECQLGAALMNA
SCHEMBL2558596 0.72 RECQL (0.41) RECQLGAACA2TERTTET2

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-5423998-A Bleaching agent for detergent AUSIMONT S.R.L. (IT) 1995-06-13 US disclosed
US-5294362-A Bleach AUSIMONT S.R.L. (IT) 1994-03-15 US disclosed
US-5245075-A Bleaching agents AUSIMONT S.R.L. (IT) 1993-09-14 US disclosed