SCHEMBL6913602

SCHEMBL6913602

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC22A1 O15245 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
RECQL P46063 1/20 0.39

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
Tetrabuthylammonium SCHEMBL235424 0.95 ALDH1A1 (0.40) KCNH2TSHRHIF1ALMNACYP2C9
Tetrabuthylammonium SCHEMBL9450301 0.94 CYP2C19 (0.41) KCNH2TSHRHIF1ALMNACYP2C9
Cetrimonium SCHEMBL25190762 0.91 DNM1 (0.44) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL3187406 0.91 DNM1 (0.40) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL10966370 0.91 DNM1 (0.48) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL10966933 0.89 DNM1 (0.47) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL9502258 0.85 DNM1 (0.37) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL10479189 0.84 KCNH2 (0.46) KCNH2TSHRHIF1ALMNACYP2C9
SCHEMBL5884141 0.84 HTT (0.36) KCNH2TSHRHIF1ALMNACYP2C9
Bromide SCHEMBL8746095 0.84 DNM1 (0.45) KCNH2HIF1ALMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed