SCHEMBL16699458

SCHEMBL16699458

CS(=O)(=O)O.Cn1ccnc1CCO

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 1/20 0.36
OPRK1 P41145 1/20 0.36
NAMPT P43490 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
LPO P22079 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNA5 P22460 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32

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
Sulfuric Acid SCHEMBL15821856 0.95 FDPS (0.45) FDPSKMT2AMEN1TSHRKCNH2
SCHEMBL16699808 0.90 FDPS (0.42) FDPSKMT2AMEN1TSHRKCNH2
SCHEMBL2418078 0.89
Hydrochloric Acid SCHEMBL28039964 0.87 FDPS (0.46) FDPSKMT2AMEN1TSHRKCNH2
Sulfuric Acid SCHEMBL15820306 0.85 FDPS (0.43) FDPSKMT2AMEN1TSHRCNR2
Acetic Acid SCHEMBL29005954 0.84 FDPS (0.45) FDPSKMT2AMEN1TSHRCNR2
SCHEMBL1274385 0.83 FDPS (0.42) FDPSKMT2AMEN1TSHRKCNH2
SCHEMBL14871680 0.82 FDPS (0.46) FDPSKMT2AMEN1TSHROPRK1
SCHEMBL28525893 0.82 FDPS (0.42) FDPSKMT2AMEN1TSHRKCNH2
SCHEMBL28717545 0.82 FDPS (0.41) FDPSKMT2AMEN1TSHRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP claimed
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US claimed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP claimed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US claimed
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP disclosed
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US disclosed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP disclosed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US disclosed