SCHEMBL7169302

SCHEMBL7169302

CN1CCN(c2ccc(S(=O)(=O)O)c(Cl)c2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
WDR5 P61964 3/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7674864 0.80 LMNA (0.43) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL4884796 0.73 MAPT (0.50) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL27530283 0.72 LMNA (0.49) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL8055184 0.71 TDP1 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL28598667 0.69 SMN1; SMN2 (0.47) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL30464734 0.68 ALDH1A1 (0.66) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL12128754 0.68 MAPT (0.52) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL8217660 0.68 MAPT (0.45) LMNAALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL2461666 0.68 ALDH1A1 (0.66) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL27763626 0.68 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657166-B1 Combination containing a quinoxaline and a nucleoside AVENTIS PHARMA GMBH (DE) 2003-04-09 EP disclosed
EP-0509398-B1 Quinoxalines, process for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-19 EP disclosed
EP-0509398-A1 Quinoxalines, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-21 EP disclosed