SCHEMBL9409903

SCHEMBL9409903

CCCC[N+](CCCC)(CCCC)Cc1ccc(CCl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.42
KCNH2 Q12809 3/20 0.41
PSMD14 O00487 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
MC4R P32245 1/20 0.39
RAD52 P43351 1/20 0.39
DNM1 Q05193 2/20 0.38
SLC22A2 O15244 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34

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
Hydrochloric Acid SCHEMBL8665765 0.98 PSMD14 (0.41) SLC22A1KCNH2PSMD14HSP90AA1MMP2
SCHEMBL9409911 0.89 SLC22A1 (0.52) SLC22A1KCNH2PSMD14HSP90AA1MMP2
SCHEMBL8671617 0.83 SLC22A1 (0.56) SLC22A1KCNH2PSMD14HSP90AA1MMP2
SCHEMBL8671957 0.83 SLC22A1 (0.56) SLC22A1KCNH2PSMD14HSP90AA1MMP2
Hydrochloric Acid SCHEMBL8959213 0.82 KCNH2 (0.56) SLC22A1KCNH2PSMD14HSP90AA1MMP2
Bromide SCHEMBL10756434 0.82 KCNH2 (0.56) SLC22A1KCNH2PSMD14HSP90AA1MMP2
SCHEMBL8664739 0.82 SLC22A1 (0.44) SLC22A1KCNH2PSMD14HSP90AA1MMP2
Hydrochloric Acid SCHEMBL8959268 0.80 SLC22A1 (0.42) SLC22A1KCNH2PSMD14HSP90AA1MMP2
Hydrogen Sulfide SCHEMBL5998244 0.79 DNM1 (0.58) SLC22A1DNM1MEN1KMT2ATP53
SCHEMBL81000 0.79 DNM1 (0.58) SLC22A1DNM1MEN1KMT2ATP53

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
EP-0630884-A2 Method and composition providing enhanced chemiluminescence from chemiluminescent compounds using dicationic surfactants LUMIGEN, INC. (US) 1994-12-28 EP disclosed