SCHEMBL7938175

SCHEMBL7938175

CCCCCCCCN(C)C.CS(=O)(=O)O

nearest known ligand 0.68

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 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.68
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
THRB P10828 4/20 0.44
THRA P10827 2/20 0.44
PPARA Q07869 2/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 2/20 0.41
PAOX Q6QHF9 1/20 0.41

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
SCHEMBL5604992 1.00 DNM1 (0.68) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL8645293 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL895681 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL11643413 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL9117820 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL23248613 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL6684700 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL17743602 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL9117833 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2
Sulfuric Acid SCHEMBL10609910 0.93 DNM1 (0.71) DNM1ALDH1A1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963589-A4 ELECTROSTATIC DISSIPATIVE COMPOSITION TECHMER PM (US) 2001-11-14 EP disclosed
EP-0963589-A1 ELECTROSTATIC DISSIPATIVE COMPOSITION Techmer PM (US) 1999-12-15 EP disclosed
US-5863466-A POLYURETHANE, POLYESTER WITH QUATERNARY AMMONIUM COMPOUND MIXTURE FOR REDUCTION OF CHARGE IN PLASTICS TO REDUCE ACCIDENTS FROM FIRE OR EXPLOSION TECHMER PM 1999-01-26 US disclosed
WO-1998035359-A9 ELECTROSTATIC DISSIPATIVE COMPOSITION 1999-01-14 WO disclosed
WO-1998035359-A1 ELECTROSTATIC DISSIPATIVE COMPOSITION TECHMER PM (US) 1998-08-13 WO disclosed