SCHEMBL10692655

SCHEMBL10692655

CC(CO)(CO)NCc1c2ccccc2c(OCCO)c2c(Cl)cccc12.CS(=O)(=O)O

nearest known ligand 0.39

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 10)

geneUniProtsupporting neighboursconfidence
MCL1 known ✓ Q07820 5/20 0.35
SLC2A1 P11166 8/20 0.39
CD274 Q9NZQ7 3/20 0.34
NPBWR1 P48145 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
PDCD1 Q15116 2/20 0.31
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10488423 1.00 SLC2A1 (0.39) SLC2A1MCL1CD274NPBWR1KMT2A
SCHEMBL10488421 1.00 SLC2A1 (0.39) SLC2A1MCL1CD274NPBWR1KMT2A
SCHEMBL10488225 0.95 CD274 (0.37) SLC2A1MCL1CD274NPBWR1KMT2A
SCHEMBL10692661 0.91 MCL1 (0.33) SLC2A1MCL1CD274
SCHEMBL10488246 0.82 CD274 (0.40) SLC2A1CD274NPBWR1KMT2AMCHR1
SCHEMBL29449853 0.82 CD274 (0.40) SLC2A1CD274NPBWR1KMT2AMCHR1
Hydrochloric Acid SCHEMBL10488206 0.81 CD274 (0.39) SLC2A1CD274NPBWR1KMT2AMCHR1
SCHEMBL10488332 0.79 SLC2A1 (0.44) SLC2A1CD274KMT2A
SCHEMBL10488814 0.78 SLC2A1 (0.35) SLC2A1CD274NPBWR1KMT2AMCHR1
SCHEMBL10488890 0.78 SLC2A1 (0.35) SLC2A1CD274NPBWR1KMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719049-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed