SCHEMBL7628088

SCHEMBL7628088

CCCCCCCCCCCCn1cc[n+](C)c1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
EEF2K O00418 2/20 0.44
EEF2 P13639 2/20 0.44
MEN1 O00255 1/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
ITK Q08881 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
HTT P42858 2/20 0.43
KCNH2 Q12809 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 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
SCHEMBL1908393 0.95 HTT (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL1533960 0.84 HTT (0.45) CA1CA2MEN1KMT2AHTT
SCHEMBL23004261 0.83 MEN1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL28808933 0.83 HTT (0.47) CA1CA2MEN1KMT2AHTT
SCHEMBL11785042 0.82 CA1 (0.41) CA1CA2EEF2KEEF2MEN1
Sulfuric Acid SCHEMBL3006216 0.82 KMT2A (0.40) CA1CA2EEF2KEEF2MEN1
SCHEMBL5287245 0.82 KMT2A (0.55) CA1CA2EEF2KEEF2MEN1
SCHEMBL4240591 0.82 KMT2A (0.55) CA1CA2EEF2KEEF2MEN1
SCHEMBL372335 0.82 KMT2A (0.55) CA1CA2EEF2KEEF2MEN1
SCHEMBL1826845 0.82 KMT2A (0.55) CA1CA2EEF2KEEF2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769517-B1 SURFACE-MODIFIED FLUORORESIN MOLDED PRODUCT DAIKIN IND LTD (JP) 2002-09-18 EP disclosed
US-5684065-A LASER BEAM DAIKIN INDUSTRIES, LTD. (JP) 1997-11-04 US disclosed
EP-0769517-A1 SURFACE-MODIFIED FLUORORESIN MOLDED PRODUCT DAIKIN INDUSTRIES, LTD. (JP) 1997-04-23 EP disclosed
US-3931129-A FLUOROELASTOMER COMPOSITION DAIKIN KOGYO CO., LTD. (JA) 1976-01-06 US disclosed